[2-methoxy-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [2-methoxy-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] thiophene-2-carboxylate Openeye Name: [2-methoxy-4-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-methoxy-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-methoxy-4-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\N2C(=NNC2=S)C3=CC=CC=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C21H16N4O3S2/c1-27-17-12-14(9-10-16(17)28-20(26)18-8-5-11-30-18)13-22-25-19(23-24-21(25)29)15-6-3-2-4-7-15/h2-13H,1H3,(H,24,29)/b22-13-