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

Systemtic Name: 1-[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[3-(2-methylsulfanylbenzoyl)-1-piperidyl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[3-[2-(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=CC=C1C(=O)C2CCCN(C2)C(=O)CCCN3C=NC=N3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CCCN3C=NC=N3

InChI

InChI=1S/C19H24N4O2S/c1-26-17-8-3-2-7-16(17)19(25)15-6-4-10-22(12-15)18(24)9-5-11-23-14-20-13-21-23/h2-3,7-8,13-15H,4-6,9-12H2,1H3