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

Systemtic Name: [4-bromanyl-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(carbamothioylhydrazono)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-bromo-2-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O2S/c1-10-3-2-4-11(7-10)15(21)22-14-6-5-13(17)8-12(14)9-19-20-16(18)23/h2-9H,1H3,(H3,18,20,23)/b19-9+