3-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one Openeye Name: 2-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinazolin-4-one CAS Name: 3-methyl-2-[[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinone IUPAC Name: 3-methyl-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one Traditional Name: 2-[[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-quinazolin-4-one Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2C)COC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2C)COC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c1-17(2)13-14-29-21(15-31-18-9-5-4-6-10-18)26-27-24(29)32-16-22-25-20-12-8-7-11-19(20)23(30)28(22)3/h4-12,17H,13-16H2,1-3H3