6-chloranyl-2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C22H20ClN5O2S/c1-3-9-28-20(12-30-16-6-4-5-14(2)10-16)26-27-22(28)31-13-19-24-18-8-7-15(23)11-17(18)21(29)25-19/h3-8,10-11H,1,9,12-13H2,2H3,(H,24,25,29)