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

Systemtic Name: 2-[4-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC=N3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=NC=N3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18N6O3S/c21-13-17-3-1-2-4-19(17)30(28,29)25-11-9-24(10-12-25)20(27)16-5-7-18(8-6-16)26-15-22-14-23-26/h1-8,14-15H,9-12H2