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

Systemtic Name: 1-phenyl-N-propan-2-yl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-phenyl-N-propan-2-yl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-N-propan-2-yl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-isopropyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6OS/c1-12(2)20-16(24)15-14(11-25-17-18-9-6-10-19-17)23(22-21-15)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,20,24)