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

Systemtic Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3OS/c1-11(15(22)12-7-9-14(18)10-8-12)23-17-19-16(20-21-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)