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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=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/c1-11-5-7-13(8-6-11)15(20)21-14-4-2-3-12(9-14)10-18-19-16(17)22/h2-10H,1H3,(H3,17,19,22)/b18-10+