[4-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-cyano-3-methylsulfanyl-isothiazol-5-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[4-cyano-3-(methylthio)-5-isothiazolyl]phenyl] ester IUPAC Name: [4-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[4-cyano-3-(methylthio)isothiazol-5-yl]phenyl] ester Formula: C18H14N2O3S3 MolecularWeight: 402.51036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=C(C(=NS3)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=C(C(=NS3)SC)C#N

InChI

InChI=1S/C18H14N2O3S3/c1-12-3-9-15(10-4-12)26(21,22)23-14-7-5-13(6-8-14)17-16(11-19)18(24-2)20-25-17/h3-10H,1-2H3