2-[[5-[(1R)-1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(1R)-1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[(1R)-1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[(1R)-1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(1R)-1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(1R)-1-(4-ethylphenoxy)ethyl]-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:

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=C(C=C1)O[C@H](C)C2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H23N5O2S/c1-4-15-9-11-16(12-10-15)29-14(2)20-25-26-22(27(20)3)30-13-19-23-18-8-6-5-7-17(18)21(28)24-19/h5-12,14H,4,13H2,1-3H3,(H,23,24,28)/t14-/m1/s1