[2-[(Z)-(2-phenylethanethioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(Z)-(2-phenylethanethioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(Z)-[(2-phenylethanethioyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(Z)-[(2-phenyl-1-sulfanylideneethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(Z)-[(2-phenylethanethioyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(Z)-[(2-phenylthioacetyl)hydrazono]methyl]phenyl] ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC(=S)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=N\NC(=S)CC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S2/c1-17-11-13-20(14-12-17)29(25,26)27-21-10-6-5-9-19(21)16-23-24-22(28)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,28)/b23-16-