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

Systemtic Name: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 3-isopropyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 3-isopropyl-4-[(E)-(4-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1N=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NNC(=S)N1/N=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2S/c1-8(2)11-14-15-12(20)16(11)13-7-9-3-5-10(6-4-9)17(18)19/h3-8H,1-2H3,(H,15,20)/b13-7+