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

Systemtic Name: 2-[4-[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[2-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]piperazino]sulfonylbenzonitrile Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2CSC3=NC=NN3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2CSC3=NC=NN3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N6O3S2/c22-13-16-5-2-4-8-19(16)32(29,30)27-11-9-26(10-12-27)20(28)18-7-3-1-6-17(18)14-31-21-23-15-24-25-21/h1-8,15H,9-12,14H2,(H,23,24,25)