7-chloranyl-2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[(1-hexyl-2-benzimidazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[(1-hexylbenzimidazol-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-2-3-4-7-12-27-19-9-6-5-8-17(19)25-22(27)29-14-20-24-18-13-15(23)10-11-16(18)21(28)26-20/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,24,26,28)