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

Systemtic Name: 2-[[4-azanyl-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-5-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C13H19N7OS MolecularWeight: 321.40126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(N2N)SCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(N2N)SCC(=O)N3CCCC3)C

InChI

InChI=1S/C13H19N7OS/c1-9-7-10(2)20(17-9)12-15-16-13(19(12)14)22-8-11(21)18-5-3-4-6-18/h7H,3-6,8,14H2,1-2H3