6,7-dimethoxy-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3S/c1-25-18(12-7-5-4-6-8-12)23-24-20(25)29-11-17-21-14-10-16(28-3)15(27-2)9-13(14)19(26)22-17/h4-10H,11H2,1-3H3,(H,21,22,26)