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

Systemtic Name: 2-[8-chloranyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole Openeye Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole CAS Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole IUPAC Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole Traditional Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-5-methyl-1,3,4-thiadiazole Formula: C19H16ClN5O2S MolecularWeight: 413.88064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)Cl)C(=NN1C3=NN=C(S3)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(C=C(C=C2)Cl)C(=NN1C3=NN=C(S3)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN5O2S/c1-11-9-14-3-6-15(20)10-17(14)18(13-4-7-16(8-5-13)25(26)27)23-24(11)19-22-21-12(2)28-19/h3-8,10-11H,9H2,1-2H3