1-(4-phenethylpiperazin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-(4-phenethylpiperazin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-(4-phenethylpiperazin-1-yl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(4-phenethyl-1-piperazinyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-(4-phenethylpiperazin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-(4-phenethylpiperazino)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS2/c27-19(9-11-26-20(22-23-21(26)28)18-7-4-16-29-18)25-14-12-24(13-15-25)10-8-17-5-2-1-3-6-17/h1-7,16H,8-15H2,(H,23,28)