N,5-bis(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N,5-bis(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N,5-bis(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide CAS Name: N,5-bis(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]-4-triazolecarboxamide IUPAC Name: N,5-bis(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N,5-bis(3,4-dimethoxyphenyl)-3-[(methylthio)methyl]triazole-4-carboxamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=N2)CSC)C(=O)NC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=N2)CSC)C(=O)NC3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H24N4O5S/c1-27-15-8-6-13(10-17(15)29-3)19-20(25(12-31-5)24-23-19)21(26)22-14-7-9-16(28-2)18(11-14)30-4/h6-11H,12H2,1-5H3,(H,22,26)