3-(METHYLSULFANYL)-6-(6-NITRO-1,3-BENZODIOXOL-5-YL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE

pro_cas
pro_cdbregno
CCD00154876
pro_formula
C18 H13 N5 O5 S
pro_molWeight
411.397

basic_info

Product_Name: 3-(METHYLSULFANYL)-6-(6-NITRO-1,3-BENZODIOXOL-5-YL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
EnglishSynonyms: 3-(METHYLSULFANYL)-6-(6-NITRO-1,3-BENZODIOXOL-5-YL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
pro_mdlNumber: MFCD00683600
pro_acceptors: 10
pro_donors: 1
pro_smile: CSc1nc2c(nn1)-c3ccccc3NC(O2)c4cc5c(cc4[N+](=O)[O-])OCO5
InChi: InChI=1S/C18H13N5O5S/c1-29-18-20-17-15(21-22-18)9-4-2-3-5-11(9)19-16(28-17)10-6-13-14(27-8-26-13)7-12(10)23(24)25/h2-7,16,19H,8H2,1H3
InChiKey: InChIKey=DSVXTKLQOCLXHI-UHFFFAOYSA-N

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