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

Systemtic Name: 3-butyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-butyl-4-[(E)-(2-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[(E)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-butyl-4-[(E)-(2-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NNC(=S)N1/N=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2S/c1-2-3-8-12-15-16-13(21)17(12)14-9-10-6-4-5-7-11(10)18(19)20/h4-7,9H,2-3,8H2,1H3,(H,16,21)/b14-9+