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

Systemtic Name: 1-(3-methylpiperidin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-methyl-1-piperidyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-methyl-1-piperidinyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-methylpiperidin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-methylpiperidino)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H28N4OS2 MolecularWeight: 440.62462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H28N4OS2/c1-18-7-5-12-26(16-18)22(28)17-30-23-25-24-21(15-20-10-6-14-29-20)27(23)13-11-19-8-3-2-4-9-19/h2-4,6,8-10,14,18H,5,7,11-13,15-17H2,1H3