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

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H27N5OS2 MolecularWeight: 441.61268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H27N5OS2/c1-3-27-20(19-10-7-15-29-19)23-24-22(27)30-17(2)21(28)26-13-11-25(12-14-26)16-18-8-5-4-6-9-18/h4-10,15,17H,3,11-14,16H2,1-2H3