3-[1-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[1-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[1-[(4-benzyl-1-piperidyl)methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[1-[[4-(phenylmethyl)-1-piperidinyl]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[1-[(4-benzylpiperidin-1-yl)methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[1-[(4-benzylpiperidino)methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-4-yl]propionamide Formula: C22H27N5OS2 MolecularWeight: 441.61268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CCC(=O)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CCC(=O)N

InChI

InChI=1S/C22H27N5OS2/c23-20(28)10-13-26-21(19-7-4-14-30-19)24-27(22(26)29)16-25-11-8-18(9-12-25)15-17-5-2-1-3-6-17/h1-7,14,18H,8-13,15-16H2,(H2,23,28)