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

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethylpyrazol-1-yl)ethanone Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(3,5-dimethylpyrazol-1-yl)ethanone Formula: C13H20N6OS MolecularWeight: 308.4025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NN=C(N2N)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NN=C(N2N)C(C)(C)C)C

InChI

InChI=1S/C13H20N6OS/c1-8-6-9(2)19(17-8)10(20)7-21-12-16-15-11(18(12)14)13(3,4)5/h6H,7,14H2,1-5H3