S-(2-tert-butyl-4,6,7-trimethyl-pyrazolo[1,5-a]benzimidazol-3-yl) ethanethioate

Systemtic Name: S-(2-tert-butyl-4,6,7-trimethyl-pyrazolo[1,5-a]benzimidazol-3-yl) ethanethioate Openeye Name: S-(2-tert-butyl-4,6,7-trimethyl-pyrazolo[1,5-a]benzimidazol-3-yl) ethanethioate CAS Name: ethanethioic acid S-(2-tert-butyl-4,6,7-trimethyl-3-pyrazolo[1,5-a]benzimidazolyl) ester IUPAC Name: S-(2-tert-butyl-4,6,7-trimethylpyrazolo[1,5-a]benzimidazol-3-yl) ethanethioate Traditional Name: ethanethioic acid S-(2-tert-butyl-4,6,7-trimethyl-pyrazolo[1,5-a]benzimidazol-3-yl) ester Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N3C(=C(C(=N3)C(C)(C)C)SC(=O)C)N2C

Isomeric SMILES

CC1=CC2=C(C=C1C)N3C(=C(C(=N3)C(C)(C)C)SC(=O)C)N2C

InChI

InChI=1S/C18H23N3OS/c1-10-8-13-14(9-11(10)2)21-17(20(13)7)15(23-12(3)22)16(19-21)18(4,5)6/h8-9H,1-7H3