[4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=S)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NCC=C

InChI

InChI=1S/C18H19N3O3S2/c1-3-12-19-18(25)21-20-13-15-6-8-16(9-7-15)24-26(22,23)17-10-4-14(2)5-11-17/h3-11,13H,1,12H2,2H3,(H2,19,21,25)/b20-13+