N-(4-phenoxyphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-phenoxyphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-phenoxyphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-phenoxyphenyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-phenoxyphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-phenoxyphenyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C26H20N6O2S MolecularWeight: 480.541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C26H20N6O2S/c33-25(29-19-12-14-22(15-13-19)34-21-10-5-2-6-11-21)24-23(18-35-26-27-16-7-17-28-26)32(31-30-24)20-8-3-1-4-9-20/h1-17H,18H2,(H,29,33)