N-[[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]heptanamide

Systemtic Name: N-[[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]heptanamide Openeye Name: N-[[4-(2,5-dichlorophenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]heptanamide CAS Name: N-[[4-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]heptanamide IUPAC Name: N-[[4-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]heptanamide Traditional Name: N-[[4-(2,5-dichlorophenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]enanthamide Formula: C24H28Cl2N4OS MolecularWeight: 491.47632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NCC1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCCCCCC(=O)NCC1=NN=C(N1C2=C(C=CC(=C2)Cl)Cl)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C24H28Cl2N4OS/c1-3-4-5-6-10-23(31)27-15-22-28-29-24(32-16-18-9-7-8-17(2)13-18)30(22)21-14-19(25)11-12-20(21)26/h7-9,11-14H,3-6,10,15-16H2,1-2H3,(H,27,31)