[1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-[(E)-(carbamothioylhydrazono)methyl]-2-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(E)-(carbamothioylhydrazinylidene)methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[(E)-(thiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)N

InChI

InChI=1S/C19H17N3O3S2/c1-13-6-9-15(10-7-13)27(23,24)25-18-11-8-14-4-2-3-5-16(14)17(18)12-21-22-19(20)26/h2-12H,1H3,(H3,20,22,26)/b21-12+