ethyl 3-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3N)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3N)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H20N4O3S/c1-3-27-20(26)18-16(15-6-4-5-7-17(15)28-18)12-29-21-24-23-19(25(21)22)14-10-8-13(2)9-11-14/h4-11H,3,12,22H2,1-2H3