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

Systemtic Name: N-(2-methoxyethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-methoxyethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(2-methoxyethyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(2-methoxyethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(2-methoxyethyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

COCCNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C17H18N6O2S/c1-25-11-10-18-16(24)15-14(12-26-17-19-8-5-9-20-17)23(22-21-15)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,18,24)