N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-(1,1-diketothiolan-3-yl)acetamide Formula: C22H31ClN4O3S2 MolecularWeight: 499.08954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CCS(=O)(=O)C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H31ClN4O3S2/c1-2-3-4-5-6-7-13-27-21(17-8-10-18(23)11-9-17)25-26-22(27)31-15-20(28)24-19-12-14-32(29,30)16-19/h8-11,19H,2-7,12-16H2,1H3,(H,24,28)