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

Systemtic Name: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-benzyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-benzyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-benzyl-4-[(E)-(4-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=S)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=S)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O2S/c22-21(23)14-8-6-13(7-9-14)11-17-20-15(18-19-16(20)24)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,24)/b17-11+