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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C25H19N5O3S MolecularWeight: 469.51506

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C25H19N5O3S/c31-24-18-8-4-5-9-19(18)26-22(27-24)14-34-25-29-28-23(17-6-2-1-3-7-17)30(25)13-16-10-11-20-21(12-16)33-15-32-20/h1-12H,13-15H2,(H,26,27,31)