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

Systemtic Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-(3-oxidanylbutyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-hydroxybutyl)-4-[(E)-(3-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-hydroxybutyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-hydroxybutyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-hydroxybutyl)-4-[(E)-(3-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C13H15N5O3S MolecularWeight: 321.3549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=NNC(=S)N1N=CC2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(CCC1=NNC(=S)N1/N=C/C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H15N5O3S/c1-9(19)5-6-12-15-16-13(22)17(12)14-8-10-3-2-4-11(7-10)18(20)21/h2-4,7-9,19H,5-6H2,1H3,(H,16,22)/b14-8+