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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-methoxyphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-methoxyphenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-methoxyphenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H23N5O3S/c1-30-16-10-8-15(9-11-16)21-26-27-23(28(21)13-17-5-4-12-31-17)32-14-20-24-19-7-3-2-6-18(19)22(29)25-20/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,24,25,29)