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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-methylpiperidino)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C24H30N4OS2 MolecularWeight: 454.6512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C24H30N4OS2/c1-18-10-13-27(14-11-18)23(29)19(2)31-24-26-25-22(17-21-9-6-16-30-21)28(24)15-12-20-7-4-3-5-8-20/h3-9,16,18-19H,10-15,17H2,1-2H3