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

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

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19N5O2S/c1-3-12-26-19(15-9-5-7-11-17(15)28-2)24-25-21(26)29-13-18-22-16-10-6-4-8-14(16)20(27)23-18/h3-11H,1,12-13H2,2H3,(H,22,23,27)