1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[(3S)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[(3S)-3-[4-(methylthio)benzoyl]piperidino]-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)CCCN3C=NC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCCN(C2)C(=O)CCCN3C=NC=N3

InChI

InChI=1S/C19H24N4O2S/c1-26-17-8-6-15(7-9-17)19(25)16-4-2-10-22(12-16)18(24)5-3-11-23-14-20-13-21-23/h6-9,13-14,16H,2-5,10-12H2,1H3/t16-/m0/s1