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

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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