[4-bromanyl-2-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(ethylcarbamothioylhydrazono)methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-(ethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCNC(=S)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C18H18BrN3O2S/c1-3-20-18(25)22-21-11-13-10-14(19)8-9-16(13)24-17(23)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H2,20,22,25)/b21-11+