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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dichlorophenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dichlorophenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,4-dichlorophenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dichlorophenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,4-dichlorophenyl)ethanone Formula: C10H8Cl2N4OS MolecularWeight: 303.16772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C10H8Cl2N4OS/c11-5-1-2-6(7(12)3-5)8(17)4-18-10-14-9(13)15-16-10/h1-3H,4H2,(H3,13,14,15,16)