5-butyl-4-[(Z)-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-butyl-4-[(Z)-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1,2,4-triazole-3-thiolate Openeye Name: 5-butyl-4-[(Z)-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1,2,4-triazole-3-thiolate CAS Name: 5-butyl-4-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,2,4-triazole-3-thiolate IUPAC Name: 5-butyl-4-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1,2,4-triazole-3-thiolate Traditional Name: 5-butyl-4-[(Z)-[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]-1,2,4-triazole-3-thiolate Formula: C16H19N4S- MolecularWeight: 299.41386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N=CC(=CC2=CC=CC=C2)C)[S-]

Isomeric SMILES

CCCCC1=NN=C(N1/N=C\C(=C/C2=CC=CC=C2)\C)[S-]

InChI

InChI=1S/C16H20N4S/c1-3-4-10-15-18-19-16(21)20(15)17-12-13(2)11-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21)/p-1/b13-11-,17-12-