(4-chloranyl-2-methylsulfonyl-3-prop-2-enylsulfanyl-phenyl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

Systemtic Name: (4-chloranyl-2-methylsulfonyl-3-prop-2-enylsulfanyl-phenyl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone Openeye Name: (3-allylsulfanyl-4-chloro-2-methylsulfonyl-phenyl)-(5-cyclopropylisoxazol-3-yl)methanone CAS Name: [4-chloro-2-methylsulfonyl-3-(prop-2-enylthio)phenyl]-(5-cyclopropyl-3-isoxazolyl)methanone IUPAC Name: (4-chloro-2-methylsulfonyl-3-prop-2-enylsulfanylphenyl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone Traditional Name: [3-(allylthio)-4-chloro-2-mesyl-phenyl]-(5-cyclopropylisoxazol-3-yl)methanone Formula: C17H16ClNO4S2 MolecularWeight: 397.89624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1SCC=C)Cl)C(=O)C2=NOC(=C2)C3CC3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1SCC=C)Cl)C(=O)C2=NOC(=C2)C3CC3

InChI

InChI=1S/C17H16ClNO4S2/c1-3-8-24-16-12(18)7-6-11(17(16)25(2,21)22)15(20)13-9-14(23-19-13)10-4-5-10/h3,6-7,9-10H,1,4-5,8H2,2H3