N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C

InChI

InChI=1S/C18H20N6OS/c1-3-5-16-22-23-18(26)24(16)11-17(25)21-14-7-4-6-13(10-14)15-8-9-19-12(2)20-15/h4,6-10H,3,5,11H2,1-2H3,(H,21,25)(H,23,26)