4-chloranyl-N-[[3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide CAS Name: 4-chloro-N-[[3-[(3,4-dichlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[3-[(3,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[3-[(3,4-dichlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]methyl]benzamide Formula: C17H13Cl3N4OS MolecularWeight: 427.73532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC2=NC(=NN2)SCC3=CC(=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC2=NC(=NN2)SCC3=CC(=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C17H13Cl3N4OS/c18-12-4-2-11(3-5-12)16(25)21-8-15-22-17(24-23-15)26-9-10-1-6-13(19)14(20)7-10/h1-7H,8-9H2,(H,21,25)(H,22,23,24)