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

Systemtic Name: 3-(furan-2-ylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(2-furfuryl)-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-one Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O2S/c28-21-17-10-4-5-11-18(17)23-19(27(21)13-16-9-6-12-29-16)14-30-22-24-20(25-26-22)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25,26)