2-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanyl]-3-(3,4-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanyl]-3-(3,4-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanyl]-3-(3,4-dimethylphenyl)quinazolin-4-one CAS Name: 2-[[6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methylthio]-3-(3,4-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanyl]-3-(3,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylthio]-3-(3,4-dimethylphenyl)quinazolin-4-one Formula: C26H23ClN4O2S MolecularWeight: 491.00442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=C(N4CCO)C=C(C=C5)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=C(N4CCO)C=C(C=C5)Cl)C

InChI

InChI=1S/C26H23ClN4O2S/c1-16-7-9-19(13-17(16)2)31-25(33)20-5-3-4-6-21(20)29-26(31)34-15-24-28-22-10-8-18(27)14-23(22)30(24)11-12-32/h3-10,13-14,32H,11-12,15H2,1-2H3