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

Systemtic Name: 2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone Openeye Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone CAS Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethylphenyl)ethanone IUPAC Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone Traditional Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethylphenyl)ethanone Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)C2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)C2=C(C=C(C=C2)C)C

InChI

InChI=1S/C15H20N4OS/c1-4-5-14-17-18-15(19(14)16)21-9-13(20)12-7-6-10(2)8-11(12)3/h6-8H,4-5,9,16H2,1-3H3