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

Systemtic Name: (1S,2S,3S)-1-cyano-2-(2-nitrophenyl)-3-(phenylcarbonyl)cyclopropane-1-carbothioamide Openeye Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(2-nitrophenyl)cyclopropanecarbothioamide CAS Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(2-nitrophenyl)-1-cyclopropanecarbothioamide IUPAC Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(2-nitrophenyl)cyclopropane-1-carbothioamide Traditional Name: (1S,2S,3S)-2-benzoyl-1-cyano-3-(2-nitrophenyl)cyclopropanecarbothioamide Formula: C18H13N3O3S MolecularWeight: 351.37912

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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=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S/c19-10-18(17(20)25)14(12-8-4-5-9-13(12)21(23)24)15(18)16(22)11-6-2-1-3-7-11/h1-9,14-15H,(H2,20,25)/t14-,15-,18+/m1/s1