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

Systemtic Name: 4-[(5-methyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(5-methyl-2-thioxo-1,3-dihydroimidazole-4-carbonyl)benzonitrile CAS Name: 4-[(5-methyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-oxomethyl]benzonitrile IUPAC Name: 4-(5-methyl-2-sulfanylidene-1,3-dihydroimidazole-4-carbonyl)benzonitrile Traditional Name: 4-(5-methyl-2-thioxo-4-imidazoline-4-carbonyl)benzonitrile Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=S)N1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(NC(=S)N1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H9N3OS/c1-7-10(15-12(17)14-7)11(16)9-4-2-8(6-13)3-5-9/h2-5H,1H3,(H2,14,15,17)