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

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3,3-dimethyl-2-oxobutyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-3,3-dimethyl-butyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S/c1-16(2,3)13(20)11-22-15-18-17-14(21)19(15)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,21)