(1S,2S,3S)-1-cyano-2-(4-methylphenyl)-3-(phenylcarbonyl)cyclopropane-1-carbothioamide

Systemtic Name: (1S,2S,3S)-1-cyano-2-(4-methylphenyl)-3-(phenylcarbonyl)cyclopropane-1-carbothioamide Openeye Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(p-tolyl)cyclopropanecarbothioamide CAS Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(4-methylphenyl)-1-cyclopropanecarbothioamide IUPAC Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(4-methylphenyl)cyclopropane-1-carbothioamide Traditional Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(p-tolyl)cyclopropanecarbothioamide Formula: C19H16N2OS MolecularWeight: 320.40814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C2(C#N)C(=S)N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H]([C@@]2(C#N)C(=S)N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2OS/c1-12-7-9-13(10-8-12)15-16(19(15,11-20)18(21)23)17(22)14-5-3-2-4-6-14/h2-10,15-16H,1H3,(H2,21,23)/t15-,16-,19+/m1/s1