2-[4-[2-(benzotriazol-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(benzotriazol-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(1-benzotriazolyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(benzotriazol-1-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H18N6O3S/c20-13-15-5-1-4-8-18(15)29(27,28)24-11-9-23(10-12-24)19(26)14-25-17-7-3-2-6-16(17)21-22-25/h1-8H,9-12,14H2