N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-2-[(4-chlorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-(4-chlorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-[(4-chlorophenyl)thio]-5-nitro-benzamide Formula: C22H17ClN6O3S MolecularWeight: 480.92678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C/C(=N\NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl)/CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H17ClN6O3S/c1-14(13-28-20-5-3-2-4-19(20)25-27-28)24-26-22(30)18-12-16(29(31)32)8-11-21(18)33-17-9-6-15(23)7-10-17/h2-12H,13H2,1H3,(H,26,30)/b24-14+