4-(3-chlorophenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(3-chlorophenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-chlorophenyl)-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(3-chlorophenyl)-3-[(4-methylphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-chlorophenyl)-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(3-chlorophenyl)-3-[(4-methylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H14ClN3OS/c1-11-5-7-12(8-6-11)10-22-16-19-18-15(21)20(16)14-4-2-3-13(17)9-14/h2-9H,10H2,1H3,(H,18,21)