N-[5-(3-ethylheptan-3-yl)-1H-1,2,4-triazol-3-yl]-2,6-dimethoxy-benzenecarbothioamide

Systemtic Name: N-[5-(3-ethylheptan-3-yl)-1H-1,2,4-triazol-3-yl]-2,6-dimethoxy-benzenecarbothioamide Openeye Name: N-[5-(1,1-diethylpentyl)-1H-1,2,4-triazol-3-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: N-[5-(3-ethylheptan-3-yl)-1H-1,2,4-triazol-3-yl]-2,6-dimethoxybenzenecarbothioamide IUPAC Name: N-[5-(3-ethylheptan-3-yl)-1H-1,2,4-triazol-3-yl]-2,6-dimethoxybenzenecarbothioamide Traditional Name: N-[5-(1,1-diethylpentyl)-1H-1,2,4-triazol-3-yl]-2,6-dimethoxy-thiobenzamide Formula: C20H30N4O2S MolecularWeight: 390.5428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CC)C1=NC(=NN1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCCC(CC)(CC)C1=NC(=NN1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C20H30N4O2S/c1-6-9-13-20(7-2,8-3)18-22-19(24-23-18)21-17(27)16-14(25-4)11-10-12-15(16)26-5/h10-12H,6-9,13H2,1-5H3,(H2,21,22,23,24,27)