(1S,2S,3S)-1-cyano-2-(phenylcarbonyl)-3-pyridin-3-yl-cyclopropane-1-carbothioamide

Systemtic Name: (1S,2S,3S)-1-cyano-2-(phenylcarbonyl)-3-pyridin-3-yl-cyclopropane-1-carbothioamide Openeye Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(3-pyridyl)cyclopropanecarbothioamide CAS Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(3-pyridinyl)-1-cyclopropanecarbothioamide IUPAC Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-pyridin-3-ylcyclopropane-1-carbothioamide Traditional Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(3-pyridyl)cyclopropanecarbothioamide Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3OS/c18-10-17(16(19)22)13(12-7-4-8-20-9-12)14(17)15(21)11-5-2-1-3-6-11/h1-9,13-14H,(H2,19,22)/t13-,14-,17+/m1/s1