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

Systemtic Name: 4-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-methoxy-3-nitro-phenyl)methyleneamino]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-methoxy-3-nitro-benzylidene)amino]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S/c1-3-4-12-15-16-13(22)17(12)14-8-9-5-6-11(21-2)10(7-9)18(19)20/h5-8H,3-4H2,1-2H3,(H,16,22)/b14-8+