methyl 3-[4-(4-phenylmethoxyphenyl)-1,2,3-triazol-1-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-phenylmethoxyphenyl)-1,2,3-triazol-1-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-benzyloxyphenyl)triazol-1-yl]thiophene-2-carboxylate CAS Name: 3-[4-(4-phenylmethoxyphenyl)-1-triazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-phenylmethoxyphenyl)triazol-1-yl]thiophene-2-carboxylate Traditional Name: 3-[4-(4-benzoxyphenyl)triazol-1-yl]thiophene-2-carboxylic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)N2C=C(N=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)N2C=C(N=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-26-21(25)20-19(11-12-28-20)24-13-18(22-23-24)16-7-9-17(10-8-16)27-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3