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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethylphenyl)ethanone Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=CN2N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=CN2N

InChI

InChI=1S/C12H14N4OS/c1-8-3-4-9(2)10(5-8)11(17)6-18-12-15-14-7-16(12)13/h3-5,7H,6,13H2,1-2H3