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

Systemtic Name: S-(4,6,7-trimethyl-2-phenyl-pyrazolo[1,5-a]benzimidazol-3-yl) ethanethioate Openeye Name: S-(4,6,7-trimethyl-2-phenyl-pyrazolo[1,5-a]benzimidazol-3-yl) ethanethioate CAS Name: ethanethioic acid S-(4,6,7-trimethyl-2-phenyl-3-pyrazolo[1,5-a]benzimidazolyl) ester IUPAC Name: S-(4,6,7-trimethyl-2-phenylpyrazolo[1,5-a]benzimidazol-3-yl) ethanethioate Traditional Name: ethanethioic acid S-(4,6,7-trimethyl-2-phenyl-pyrazolo[1,5-a]benzimidazol-3-yl) ester Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N3C(=C(C(=N3)C4=CC=CC=C4)SC(=O)C)N2C

Isomeric SMILES

CC1=CC2=C(C=C1C)N3C(=C(C(=N3)C4=CC=CC=C4)SC(=O)C)N2C

InChI

InChI=1S/C20H19N3OS/c1-12-10-16-17(11-13(12)2)23-20(22(16)4)19(25-14(3)24)18(21-23)15-8-6-5-7-9-15/h5-11H,1-4H3