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

Systemtic Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H20FN5O3S MolecularWeight: 453.489303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)C5=CC=CC=C5F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3C4CC4)C5=CC=CC=C5F)OC

InChI

InChI=1S/C22H20FN5O3S/c1-30-17-9-14-16(10-18(17)31-2)24-19(25-21(14)29)11-32-22-27-26-20(28(22)12-7-8-12)13-5-3-4-6-15(13)23/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,24,25,29)