methyl 4-[2-(1-carbamothioyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoate

Systemtic Name: methyl 4-[2-(1-carbamothioyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoate Openeye Name: methyl 4-[2-(1-carbamothioyl-5-oxo-3-phenyl-pyrazol-4-ylidene)hydrazino]benzoate CAS Name: 4-[2-(1-carbamothioyl-5-oxo-3-phenyl-4-pyrazolylidene)hydrazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-carbamothioyl-5-oxo-3-phenylpyrazol-4-ylidene)hydrazinyl]benzoate Traditional Name: 4-[N'-(5-keto-3-phenyl-1-thiocarbamoyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid methyl ester Formula: C18H15N5O3S MolecularWeight: 381.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O3S/c1-26-17(25)12-7-9-13(10-8-12)20-21-15-14(11-5-3-2-4-6-11)22-23(16(15)24)18(19)27/h2-10,20H,1H3,(H2,19,27)