5-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-N-homoveratryl-1-[3-(methylthio)phenyl]triazole-4-carboxamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)SC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)SC)N)OC

InChI

InChI=1S/C20H23N5O3S/c1-27-16-8-7-13(11-17(16)28-2)9-10-22-20(26)18-19(21)25(24-23-18)14-5-4-6-15(12-14)29-3/h4-8,11-12H,9-10,21H2,1-3H3,(H,22,26)