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

Systemtic Name: N-(4-aminocarbonylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-carbamoylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(4-carbamoylphenyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(4-carbamoylphenyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C21H17N7O2S MolecularWeight: 431.47038

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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)C(=O)N)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)C(=O)N)CSC4=NC=CC=N4

InChI

InChI=1S/C21H17N7O2S/c22-19(29)14-7-9-15(10-8-14)25-20(30)18-17(13-31-21-23-11-4-12-24-21)28(27-26-18)16-5-2-1-3-6-16/h1-12H,13H2,(H2,22,29)(H,25,30)