2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C(C)C

InChI

InChI=1S/C16H21N3OS/c1-5-19-15(11(2)3)17-18-16(19)21-10-14(20)13-8-6-12(4)7-9-13/h6-9,11H,5,10H2,1-4H3