2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C20H29ClN4OS MolecularWeight: 408.98846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SC(C)C(=O)NC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SC(C)C(=O)NC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClN4OS/c1-4-5-6-7-8-9-14-25-18(16-10-12-17(21)13-11-16)23-24-20(25)27-15(2)19(26)22-3/h10-13,15H,4-9,14H2,1-3H3,(H,22,26)