[1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-chloranylbenzoate

Systemtic Name: [1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-chloranylbenzoate Openeye Name: [1-[(E)-(m-tolylcarbamothioylhydrazono)methyl]-2-naphthyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C26H20ClN3O2S MolecularWeight: 473.9739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H20ClN3O2S/c1-17-5-4-7-21(15-17)29-26(33)30-28-16-23-22-8-3-2-6-18(22)11-14-24(23)32-25(31)19-9-12-20(27)13-10-19/h2-16H,1H3,(H2,29,30,33)/b28-16+