2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C17H17N5OS/c23-16-12-3-1-2-4-13(12)18-14(19-16)9-24-17-21-20-15(10-5-6-10)22(17)11-7-8-11/h1-4,10-11H,5-9H2,(H,18,19,23)