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

Systemtic Name: N-ethyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-ethyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-ethyl-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-ethyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-ethyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6OS/c1-2-17-15(23)14-13(11-24-16-18-9-6-10-19-16)22(21-20-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,23)