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

Systemtic Name: 1-(4-chlorophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H16ClN3OS MolecularWeight: 309.81434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-9(2)13-16-17-14(18(13)3)20-8-12(19)10-4-6-11(15)7-5-10/h4-7,9H,8H2,1-3H3