2-[2-chloranyl-4-methylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile

Systemtic Name: 2-[2-chloranyl-4-methylsulfonyl-3-(1,3-thiazol-2-yl)phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(2-chloro-4-methylsulfonyl-3-thiazol-2-yl-benzoyl)-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[[2-chloro-4-methylsulfonyl-3-(2-thiazolyl)phenyl]-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-[2-chloro-4-methylsulfonyl-3-(1,3-thiazol-2-yl)benzoyl]-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-(2-chloro-4-mesyl-3-thiazol-2-yl-benzoyl)-3-cyclopropyl-3-keto-propionitrile Formula: C17H13ClN2O4S2 MolecularWeight: 408.87912

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)Cl)C3=NC=CS3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)Cl)C3=NC=CS3

InChI

InChI=1S/C17H13ClN2O4S2/c1-26(23,24)12-5-4-10(14(18)13(12)17-20-6-7-25-17)16(22)11(8-19)15(21)9-2-3-9/h4-7,9,11H,2-3H2,1H3