4-[(5-ethyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbothioyl]benzenecarbonitrile

Systemtic Name: 4-[(5-ethyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbothioyl]benzenecarbonitrile Openeye Name: 4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbothioyl)benzonitrile CAS Name: 4-[(5-ethyl-2-oxo-1,3-dihydroimidazol-4-yl)-sulfanylidenemethyl]benzonitrile IUPAC Name: 4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbothioyl)benzonitrile Traditional Name: 4-(5-ethyl-2-keto-4-imidazoline-4-carbothioyl)benzonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)N1)C(=S)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=C(NC(=O)N1)C(=S)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3OS/c1-2-10-11(16-13(17)15-10)12(18)9-5-3-8(7-14)4-6-9/h3-6H,2H2,1H3,(H2,15,16,17)