2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C26H22N6O3S MolecularWeight: 498.55628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H22N6O3S/c27-19-21-11-7-8-14-23(21)36(34,35)31-17-15-30(16-18-31)26(33)24-28-25(20-9-3-1-4-10-20)32(29-24)22-12-5-2-6-13-22/h1-14H,15-18H2