1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c25-18(14-27-20-21-19(22-23-20)17-7-4-12-26-17)24-10-8-16(9-11-24)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,21,22,23)