2-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CN3C=NC=N3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CN3C=NC=N3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N6O3S/c22-13-19-3-1-2-4-20(19)31(29,30)27-11-9-25(10-12-27)21(28)18-7-5-17(6-8-18)14-26-16-23-15-24-26/h1-8,15-16H,9-12,14H2