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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-2-isopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-chlorophenyl)methylthio]-2-propan-2-yl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-2-propan-2-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-chlorobenzyl)thio]-2-isopropyl-1H-1,2,4-triazol-5-one Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC(=O)N1)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)N1C(=NC(=O)N1)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3OS/c1-8(2)16-12(14-11(17)15-16)18-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17)