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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-(2-furfuryl)quinazolin-4-one Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C24H21N5O2S/c1-2-16-9-11-17(12-10-16)22-26-24(28-27-22)32-15-21-25-20-8-4-3-7-19(20)23(30)29(21)14-18-6-5-13-31-18/h3-13H,2,14-15H2,1H3,(H,26,27,28)