N-[2-(4-chlorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Cl

InChI

InChI=1S/C18H17ClN4OS/c19-16-7-3-13(4-8-16)9-10-20-17(24)15-5-1-14(2-6-15)11-25-18-21-12-22-23-18/h1-8,12H,9-11H2,(H,20,24)(H,21,22,23)