ethyl 4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20N4O3S/c1-3-26-18(24)15-6-4-13(5-7-15)12-27-19-22-21-17(23(19)20)14-8-10-16(25-2)11-9-14/h4-11H,3,12,20H2,1-2H3