2,5-bis(chloranyl)-N-[(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 2,5-dichloro-N-[(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 2,5-dichloro-N-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2,5-dichloro-N-[(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 2,5-dichloro-N-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C19H18Cl2N4OS MolecularWeight: 421.34342

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N4OS/c1-2-10-27-19-24-23-17(25(19)14-6-4-3-5-7-14)12-22-18(26)15-11-13(20)8-9-16(15)21/h3-9,11H,2,10,12H2,1H3,(H,22,26)