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

Systemtic Name: [2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [2-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=NNC(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-11-6-8-12(9-7-11)15(20)21-14-5-3-2-4-13(14)10-18-19-16(17)22/h2-10H,1H3,(H3,17,19,22)/b18-10+