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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1N=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NNC(=S)N1/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2S/c1-2-4-11-14-15-12(20)16(11)13-8-9-5-3-6-10(7-9)17(18)19/h3,5-8H,2,4H2,1H3,(H,15,20)/b13-8+