N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-homoveratryl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C24H24N6O3S MolecularWeight: 476.55076

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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)CSC4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4)OC

InChI

InChI=1S/C24H24N6O3S/c1-32-20-10-9-17(15-21(20)33-2)11-14-25-23(31)22-19(16-34-24-26-12-6-13-27-24)30(29-28-22)18-7-4-3-5-8-18/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,31)