2-[2-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C25H18ClN5OS MolecularWeight: 471.96132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C25H18ClN5OS/c26-18-10-11-22-21(14-18)29-25(31(22)15-17-6-2-1-3-7-17)33-16-23-28-20-9-5-4-8-19(20)24(32)30(23)13-12-27/h1-11,14H,13,15-16H2