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

Systemtic Name: 1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-[4-(4-ethylbenzoyl)piperazino]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C22H25N5O2S2/c1-2-16-5-7-17(8-6-16)21(29)26-13-11-25(12-14-26)19(28)9-10-27-20(23-24-22(27)30)18-4-3-15-31-18/h3-8,15H,2,9-14H2,1H3,(H,24,30)