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

Systemtic Name: [4-bromanyl-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-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=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)N

Isomeric SMILES

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

InChI

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