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

Systemtic Name: 2-[4-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-methyl-2-phenyl-triazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-methyl-2-phenyl-triazole-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H20N6O3S MolecularWeight: 436.4869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6O3S/c1-16-20(24-27(23-16)18-8-3-2-4-9-18)21(28)25-11-13-26(14-12-25)31(29,30)19-10-6-5-7-17(19)15-22/h2-10H,11-14H2,1H3