2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)ethanamide

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)ethanamide Openeye Name: 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]acetamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC(C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C21H25N5OS2/c1-15-6-8-16(9-7-15)20-23-24-21(28)26(20)14-19(27)22-13-17(18-5-4-12-29-18)25-10-2-3-11-25/h4-9,12,17H,2-3,10-11,13-14H2,1H3,(H,22,27)(H,24,28)