(2S)-1-(4-ethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethylphenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-ethylphenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NNC(=N2)C(C)C

InChI

InChI=1S/C16H21N3OS/c1-5-12-6-8-13(9-7-12)14(20)11(4)21-16-17-15(10(2)3)18-19-16/h6-11H,5H2,1-4H3,(H,17,18,19)/t11-/m0/s1