3-(4-chlorophenyl)sulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-2-isopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-chlorophenyl)thio]-2-propan-2-yl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(4-chlorophenyl)sulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-chlorophenyl)thio]-2-isopropyl-1H-1,2,4-triazol-5-one Formula: C11H12ClN3OS MolecularWeight: 269.75048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC(=O)N1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)N1C(=NC(=O)N1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H12ClN3OS/c1-7(2)15-11(13-10(16)14-15)17-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,14,16)