2-[8-chloranyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-3-oxidanidyl-4,5-dihydro-1,3-thiazol-3-ium

Systemtic Name: 2-[8-chloranyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-3-oxidanidyl-4,5-dihydro-1,3-thiazol-3-ium Openeye Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-3-oxido-4,5-dihydrothiazol-3-ium CAS Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-3-oxido-4,5-dihydrothiazol-3-ium IUPAC Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-3-oxido-4,5-dihydro-1,3-thiazol-3-ium Traditional Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-3-oxido-2-thiazolin-3-ium Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)Cl)C(=NN1C3=[N+](CCS3)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(C=C(C=C2)Cl)C(=NN1C3=[N+](CCS3)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O3S/c1-12-10-14-2-5-15(20)11-17(14)18(13-3-6-16(7-4-13)24(26)27)21-23(12)19-22(25)8-9-28-19/h2-7,11-12H,8-10H2,1H3