2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethanone CAS Name: 2-(6-benzimidazolo[1,2-c]quinazolinylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(benzimidazolo[1,2-c]quinazolin-6-ylthio)ethanone Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

InChI

InChI=1S/C25H22N4OS/c1-4-13-28-16(2)14-19(17(28)3)23(30)15-31-25-27-20-10-6-5-9-18(20)24-26-21-11-7-8-12-22(21)29(24)25/h4-12,14H,1,13,15H2,2-3H3