1-(3,4-dichlorophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dichlorophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dichlorophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dichlorophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dichlorophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dichlorophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C13H13Cl2N3OS MolecularWeight: 330.23282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H13Cl2N3OS/c1-2-3-12-16-13(18-17-12)20-7-11(19)8-4-5-9(14)10(15)6-8/h4-6H,2-3,7H2,1H3,(H,16,17,18)