1-[4-(phenylmethyl)piperidin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c26-19(10-13-25-20(22-23-21(25)27)18-7-4-14-28-18)24-11-8-17(9-12-24)15-16-5-2-1-3-6-16/h1-7,14,17H,8-13,15H2,(H,23,27)