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

Systemtic Name: [4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)OC

Isomeric SMILES

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C20H20N4O4S/c1-4-18-22-23-20(29)24(18)21-12-13-5-10-16(17(11-13)27-3)28-19(25)14-6-8-15(26-2)9-7-14/h5-12H,4H2,1-3H3,(H,23,29)