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

Systemtic Name: 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-ethyl-5-p-anisyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H21N5O2S/c1-3-26-19(12-14-8-10-15(28-2)11-9-14)24-25-21(26)29-13-18-22-17-7-5-4-6-16(17)20(27)23-18/h4-11H,3,12-13H2,1-2H3,(H,22,23,27)