2-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N=C(N1)C2=CC=C(C=C2)CC

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N=C(N1)C2=CC=C(C=C2)CC

InChI

InChI=1S/C17H25N5OS/c1-4-10-18-15(23)11-21(3)12-22-17(24)19-16(20-22)14-8-6-13(5-2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,18,23)(H,19,20,24)