2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(3-hydroxypropyl)quinazolin-4-one Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CCCO

InChI

InChI=1S/C19H18N4O2S/c24-11-5-10-23-18(25)13-6-1-2-7-14(13)22-19(23)26-12-17-20-15-8-3-4-9-16(15)21-17/h1-4,6-9,24H,5,10-12H2,(H,20,21)