3,3-dimethyl-1-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=NC=CN=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=NC=CN=C2

InChI

InChI=1S/C13H17N5OS/c1-13(2,3)10(19)8-20-12-17-16-11(18(12)4)9-7-14-5-6-15-9/h5-7H,8H2,1-4H3