3-[4-[(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)carbonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(5-phenyl-2-thioxo-1,3-dihydroimidazole-4-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 3-[4-[oxo-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazole-4-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 3-[4-(5-phenyl-2-thioxo-4-imidazoline-4-carbonyl)piperazino]benzonitrile Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=C(NC(=S)N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=C(NC(=S)N3)C4=CC=CC=C4

InChI

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