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

Systemtic Name: N-(3-methylbutyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-isopentyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(3-methylbutyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(3-methylbutyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-isoamyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C19H22N6OS MolecularWeight: 382.48258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6OS/c1-14(2)9-12-20-18(26)17-16(13-27-19-21-10-6-11-22-19)25(24-23-17)15-7-4-3-5-8-15/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,20,26)