4-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(CS2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NN=C(CS2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N5OS/c22-14-16-6-8-18(9-7-16)20(27)25-10-12-26(13-11-25)21-24-23-19(15-28-21)17-4-2-1-3-5-17/h1-9H,10-13,15H2