3-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c24-18(17-10-5-2-6-11-17)12-7-15-26-20-22-21-19(25)23(20)14-13-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,21,25)