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

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-15-7-5-11-23(13-15)18(25)14-27-20-22-21-19(17-10-6-12-26-17)24(20)16-8-3-2-4-9-16/h2-4,6,8-10,12,15H,5,7,11,13-14H2,1H3/t15-/m0/s1