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

Systemtic Name: 1-phenyl-N-(2-phenylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-N-(2-phenylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-phenyl-N-(2-phenylphenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-N-(2-phenylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: 1-phenyl-N-(2-phenylphenyl)-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C26H20N6OS MolecularWeight: 464.5416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C26H20N6OS/c33-25(29-22-15-8-7-14-21(22)19-10-3-1-4-11-19)24-23(18-34-26-27-16-9-17-28-26)32(31-30-24)20-12-5-2-6-13-20/h1-17H,18H2,(H,29,33)