3-(1H-indol-3-ylmethyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1H-indol-3-ylmethyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1H-indol-3-ylmethyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(1H-indol-3-ylmethyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1H-indol-3-ylmethyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1H-indol-3-ylmethyl)-4-[(E)-(4-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3=NNC(=S)N3N=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=NNC(=S)N3/N=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O2S/c25-24(26)14-7-5-12(6-8-14)10-20-23-17(21-22-18(23)27)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,10-11,19H,9H2,(H,22,27)/b20-10+