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

Systemtic Name: 1-(3-methylpiperidin-1-yl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 1-(3-methyl-1-piperidinyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylpiperidino)ethanone Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c1-16-7-5-11-24(13-16)19(26)15-28-21-23-22-20(18-10-6-12-27-18)25(21)14-17-8-3-2-4-9-17/h2-4,6,8-10,12,16H,5,7,11,13-15H2,1H3