1-(2-ethylpiperidin-1-yl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethyl-1-piperidyl)propan-1-one CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2-ethylpiperidino)propan-1-one Formula: C23H28N4OS2 MolecularWeight: 440.62462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H28N4OS2/c1-3-19-12-7-8-14-26(19)22(28)17(2)30-23-25-24-21(20-13-9-15-29-20)27(23)16-18-10-5-4-6-11-18/h4-6,9-11,13,15,17,19H,3,7-8,12,14,16H2,1-2H3