[4-[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[[3-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[[3-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxy-phenyl] ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)N(C)C)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)N(C)C)OC

InChI

InChI=1S/C20H21N5O3S/c1-13(26)28-17-10-5-14(11-18(17)27-4)12-21-25-19(22-23-20(25)29)15-6-8-16(9-7-15)24(2)3/h5-12H,1-4H3,(H,23,29)