2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H20N6O3S2 MolecularWeight: 468.5519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=CN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=CN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N6O3S2/c22-14-17-6-4-5-9-19(17)32(29,30)26-12-10-25(11-13-26)20(28)15-31-21-24-23-16-27(21)18-7-2-1-3-8-18/h1-9,16H,10-13,15H2