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

Systemtic Name: 1-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C17H13Cl2N3OS MolecularWeight: 378.27562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13Cl2N3OS/c1-11(23)10-24-17-21-20-16(12-2-4-13(18)5-3-12)22(17)15-8-6-14(19)7-9-15/h2-9H,10H2,1H3