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

Systemtic Name: 2-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(5-chloro-1-propyl-2-benzimidazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-chloro-1-propyl-benzimidazol-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H17ClN4OS/c1-2-9-24-16-8-7-12(20)10-15(16)22-19(24)26-11-17-21-14-6-4-3-5-13(14)18(25)23-17/h3-8,10H,2,9,11H2,1H3,(H,21,23,25)