2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-chloro-quinazolin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-7-chloro-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-7-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-(1H-benzimidazol-2-ylmethylthio)-7-chloro-quinazolin-4-one Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H15ClN4OS/c1-2-9-24-18(25)13-8-7-12(20)10-16(13)23-19(24)26-11-17-21-14-5-3-4-6-15(14)22-17/h2-8,10H,1,9,11H2,(H,21,22)