N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H16ClFN4OS MolecularWeight: 390.862243

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C18H16ClFN4OS/c1-24(9-14-15(19)3-2-4-16(14)20)17(25)13-7-5-12(6-8-13)10-26-18-21-11-22-23-18/h2-8,11H,9-10H2,1H3,(H,21,22,23)