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

Systemtic Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[3-(4-methoxyphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23N5O2S/c1-27-20(9-5-6-15-10-12-16(29-2)13-11-15)25-26-22(27)30-14-19-23-18-8-4-3-7-17(18)21(28)24-19/h3-4,7-8,10-13H,5-6,9,14H2,1-2H3,(H,23,24,28)