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

Systemtic Name: N-(3-ethoxypropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-ethoxypropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(3-ethoxypropyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(3-ethoxypropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(3-ethoxypropyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2S/c1-2-27-13-7-12-20-18(26)17-16(14-28-19-21-10-6-11-22-19)25(24-23-17)15-8-4-3-5-9-15/h3-6,8-11H,2,7,12-14H2,1H3,(H,20,26)