N-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(4-phenylpiperazin-1-yl)carbonylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=NN4

InChI

InChI=1S/C21H22N6O2S/c28-19(14-30-21-22-15-23-25-21)24-17-8-6-16(7-9-17)20(29)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H,24,28)(H,22,23,25)