[4-bromanyl-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(m-tolylcarbamothioylhydrazono)methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3C

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O2S/c1-15-6-5-8-19(12-15)26-23(30)27-25-14-17-13-18(24)10-11-21(17)29-22(28)20-9-4-3-7-16(20)2/h3-14H,1-2H3,(H2,26,27,30)/b25-14+