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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17N5O3S/c1-2-25-18(12-7-8-15-16(9-12)28-11-27-15)23-24-20(25)29-10-17-21-14-6-4-3-5-13(14)19(26)22-17/h3-9H,2,10-11H2,1H3,(H,21,22,26)