6-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline

Systemtic Name: 6-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline Openeye Name: 6-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline CAS Name: 6-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]benzimidazolo[1,2-c]quinazoline IUPAC Name: 6-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline Traditional Name: 6-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]benzimidazolo[1,2-c]quinazoline Formula: C27H27N3S MolecularWeight: 425.58838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42)C)C(C)(C)C

InChI

InChI=1S/C27H27N3S/c1-17-14-19(27(3,4)5)15-18(2)21(17)16-31-26-29-22-11-7-6-10-20(22)25-28-23-12-8-9-13-24(23)30(25)26/h6-15H,16H2,1-5H3