6,7-dimethoxy-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C20H19N5O4S/c1-27-13-6-4-5-12(7-13)25-11-21-24-20(25)30-10-18-22-15-9-17(29-3)16(28-2)8-14(15)19(26)23-18/h4-9,11H,10H2,1-3H3,(H,22,23,26)