3-(4-chlorophenyl)-2-[[1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-[[1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]quinazolin-4-one Openeye Name: 2-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-3-(4-chlorophenyl)quinazolin-4-one CAS Name: 3-(4-chlorophenyl)-2-[[[1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-4-quinazolinone IUPAC Name: 2-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-3-(4-chlorophenyl)quinazolin-4-one Traditional Name: 2-[[(1-benzylbenzimidazol-2-yl)thio]methyl]-3-(4-chlorophenyl)quinazolin-4-one Formula: C29H21ClN4OS MolecularWeight: 509.02124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H21ClN4OS/c30-21-14-16-22(17-15-21)34-27(31-24-11-5-4-10-23(24)28(34)35)19-36-29-32-25-12-6-7-13-26(25)33(29)18-20-8-2-1-3-9-20/h1-17H,18-19H2