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

Systemtic Name: 4-cyclopropyl-3-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-(4-oxo-4-phenyl-butyl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[(4-oxo-4-phenylbutyl)thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-(4-oxo-4-phenylbutyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(4-keto-4-phenyl-butyl)thio]-1H-1,2,4-triazol-5-one Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H17N3O2S/c19-13(11-5-2-1-3-6-11)7-4-10-21-15-17-16-14(20)18(15)12-8-9-12/h1-3,5-6,12H,4,7-10H2,(H,16,20)