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

Systemtic Name: 2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-2-12-26-19(13-28-15-8-4-3-5-9-15)24-25-21(26)29-14-18-22-17-11-7-6-10-16(17)20(27)23-18/h2-11H,1,12-14H2,(H,22,23,27)