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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C21H17ClN6O2S MolecularWeight: 452.91668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN6O2S/c1-30-18-9-8-14(22)12-16(18)25-20(29)19-17(13-31-21-23-10-5-11-24-21)28(27-26-19)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,29)