[2-methoxy-4-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate

Systemtic Name: [2-methoxy-4-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate Traditional Name: benzoic acid [2-methoxy-4-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C17H14N4O3S MolecularWeight: 354.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C=NNC2=S)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2C=NNC2=S)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3S/c1-23-15-9-12(10-19-21-11-18-20-17(21)25)7-8-14(15)24-16(22)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,25)/b19-10+