N-[2-[4-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-methyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Formula: C22H26N6O2S2 MolecularWeight: 470.61084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CCNC(=O)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CCNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H26N6O2S2/c1-26-19(9-10-23-21(30)18-8-5-15-31-18)24-25-22(26)32-16-20(29)28-13-11-27(12-14-28)17-6-3-2-4-7-17/h2-8,15H,9-14,16H2,1H3,(H,23,30)