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

Systemtic Name: 2-[[3-(2-chlorophenyl)-4-cyclopentyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[3-(2-chlorophenyl)-4-cyclopentyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(2-chlorophenyl)-4-cyclopentyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-(2-chlorophenyl)-4-cyclopentyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[3-(2-chlorophenyl)-4-cyclopentyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C20H28ClN5OS MolecularWeight: 421.98722

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=CC=C2Cl)C3CCCC3

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=CC=C2Cl)C3CCCC3

InChI

InChI=1S/C20H28ClN5OS/c1-3-12-22-18(27)13-24(2)14-25-20(28)26(15-8-4-5-9-15)19(23-25)16-10-6-7-11-17(16)21/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H,22,27)