N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-methoxy-benzamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-methoxy-benzamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-methoxy-benzamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-4-methoxybenzamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-4-methoxybenzamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-4-methoxy-benzamide Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-24-14-8-4-12(5-9-14)15(23)19-16-20-17(22-21-16)25-10-11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H2,19,20,21,22,23)