4-[[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]piperazino]methyl]benzonitrile Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C22H22N6OS/c23-13-17-1-3-18(4-2-17)14-27-9-11-28(12-10-27)21(29)20-7-5-19(6-8-20)15-30-22-24-16-25-26-22/h1-8,16H,9-12,14-15H2,(H,24,25,26)