4-butyl-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-2-3-13-23-19(25)21-22-20(23)26-14-18(24)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,21,25)