1-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-(1,2,3,4-tetrazol-1-yl)propan-1-one

Systemtic Name: 1-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-(1,2,3,4-tetrazol-1-yl)propan-1-one Openeye Name: 1-[3-(4-methylsulfanylbenzoyl)-1-piperidyl]-3-(tetrazol-1-yl)propan-1-one CAS Name: 1-[3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-3-(1-tetrazolyl)-1-propanone IUPAC Name: 1-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one Traditional Name: 1-[3-[4-(methylthio)benzoyl]piperidino]-3-(tetrazol-1-yl)propan-1-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)CCN3C=NN=N3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)CCN3C=NN=N3

InChI

InChI=1S/C17H21N5O2S/c1-25-15-6-4-13(5-7-15)17(24)14-3-2-9-21(11-14)16(23)8-10-22-12-18-19-20-22/h4-7,12,14H,2-3,8-11H2,1H3