[1-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate

Systemtic Name: [1-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate Openeye Name: [1-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]-2-naphthyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [1-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [1-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]-2-naphthyl] ester Formula: C26H20ClN3O2S MolecularWeight: 473.9739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)NC4=CC(=CC=C4)Cl

InChI

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