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

Systemtic Name: 2-[8-chloranyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-1,3,4-thiadiazole CAS Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-1,3,4-thiadiazole IUPAC Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-1,3,4-thiadiazole Traditional Name: 2-[8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-1,3,4-thiadiazole Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)Cl)C(=NN1C3=NN=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC2=C(C=C(C=C2)Cl)C(=NN1C3=NN=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O2S/c1-11-8-13-2-5-14(19)9-16(13)17(22-23(11)18-21-20-10-27-18)12-3-6-15(7-4-12)24(25)26/h2-7,9-11H,8H2,1H3