[6-methyl-2-(2-sulfanylidene-1H-imidazol-3-yl)pyridin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-methyl-2-(2-sulfanylidene-1H-imidazol-3-yl)pyridin-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-methyl-2-(2-thioxo-1H-imidazol-3-yl)-3-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-methyl-2-(2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] ester IUPAC Name: [6-methyl-2-(2-sulfanylidene-1H-imidazol-3-yl)pyridin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-methyl-2-(2-thioxo-4-imidazolin-1-yl)-3-pyridyl] ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C=C2)C)N3C=CNC3=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C=C2)C)N3C=CNC3=S

InChI

InChI=1S/C16H15N3O3S2/c1-11-3-6-13(7-4-11)24(20,21)22-14-8-5-12(2)18-15(14)19-10-9-17-16(19)23/h3-10H,1-2H3,(H,17,23)