N-[3-[3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(3,3-dimethyl-2-oxobutyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(2-keto-3,3-dimethyl-butyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)C(C)(C)C

InChI

InChI=1S/C16H20N4O2S/c1-11(21)18-12-6-5-7-13(8-12)20-10-17-19-15(20)23-9-14(22)16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,21)