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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=C(N4CCO)C=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=C(N4CCO)C=C(C=C5)Cl

InChI

InChI=1S/C26H23ClN4O2S/c1-17-6-8-18(9-7-17)15-31-25(33)20-4-2-3-5-21(20)29-26(31)34-16-24-28-22-11-10-19(27)14-23(22)30(24)12-13-32/h2-11,14,32H,12-13,15-16H2,1H3