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

Systemtic Name: 1-(4-chlorophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-chlorophenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-chlorophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-chlorophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-chlorophenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C15H12ClN3OS2 MolecularWeight: 349.85828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C15H12ClN3OS2/c1-9(13(20)10-4-6-11(16)7-5-10)22-15-17-14(18-19-15)12-3-2-8-21-12/h2-9H,1H3,(H,17,18,19)