5-(5-chloranyl-2-methoxy-phenyl)-3-[2-(phenylsulfinyl)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[2-(phenylsulfinyl)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[2-(benzenesulfinyl)ethylsulfanyl]-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(benzenesulfinyl)ethylthio]-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(benzenesulfinyl)ethylsulfanyl]-5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(benzenesulfinyl)ethylthio]-5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole Formula: C17H16ClN3O2S2 MolecularWeight: 393.91084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCS(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCS(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16ClN3O2S2/c1-23-15-8-7-12(18)11-14(15)16-19-17(21-20-16)24-9-10-25(22)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20,21)