5-(4-chlorophenyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-chlorophenyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-chlorophenyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-chlorophenyl)-3-[[4-(methylthio)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-chlorophenyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-chlorophenyl)-3-[[4-(methylthio)benzyl]thio]-1H-1,2,4-triazole Formula: C16H14ClN3S2 MolecularWeight: 347.88546

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3S2/c1-21-14-8-2-11(3-9-14)10-22-16-18-15(19-20-16)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,19,20)