methyl 4-[[2-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzoic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=NNC(=S)N1N=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N4O3S/c1-3-18-22-23-20(28)24(18)21-12-16-6-4-5-7-17(16)27-13-14-8-10-15(11-9-14)19(25)26-2/h4-12H,3,13H2,1-2H3,(H,23,28)