2-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C23H17ClN4OS MolecularWeight: 432.92528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H17ClN4OS/c24-16-10-11-20-19(12-16)26-23(28(20)13-15-6-2-1-3-7-15)30-14-21-25-18-9-5-4-8-17(18)22(29)27-21/h1-12H,13-14H2,(H,25,27,29)