2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethylcarbamoyl)acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[oxo-(thiophen-2-ylmethylamino)methyl]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-(2-thenylcarbamoyl)acetamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CS3)N4CCCC4

InChI

InChI=1S/C21H24N6O2S2/c1-15-6-8-16(9-7-15)27-20(26-10-2-3-11-26)24-25-21(27)31-14-18(28)23-19(29)22-13-17-5-4-12-30-17/h4-9,12H,2-3,10-11,13-14H2,1H3,(H2,22,23,28,29)