2-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(5-chloro-1-propyl-2-benzimidazolyl)thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(5-chloro-1-propyl-benzimidazol-2-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C20H19ClN4OS/c1-3-9-25-16-8-7-13(21)10-15(16)22-20(25)27-11-17-23-18-12(2)5-4-6-14(18)19(26)24-17/h4-8,10H,3,9,11H2,1-2H3,(H,23,24,26)