[2-methoxy-4-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate

Systemtic Name: [2-methoxy-4-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] benzoate Traditional Name: benzoic acid [2-methoxy-4-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C18H16N4O3S/c1-12-20-21-18(26)22(12)19-11-13-8-9-15(16(10-13)24-2)25-17(23)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,26)/b19-11+