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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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