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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O2S/c1-2-3-11-14-15-12(20)16(11)13-8-9-4-6-10(7-5-9)17(18)19/h4-8H,2-3H2,1H3,(H,15,20)/b13-8+