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

Systemtic Name: 3-butyl-4-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-butyl-4-[(E)-(4-methoxy-3-nitro-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-butyl-4-[(E)-(4-methoxy-3-nitro-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S/c1-3-4-5-13-16-17-14(23)18(13)15-9-10-6-7-12(22-2)11(8-10)19(20)21/h6-9H,3-5H2,1-2H3,(H,17,23)/b15-9+