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

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-piperonyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C18H14N6O3S MolecularWeight: 394.40716

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=N3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=N3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C18H14N6O3S/c25-17-12-3-1-2-4-13(12)19-16(20-17)9-28-18-21-22-23-24(18)8-11-5-6-14-15(7-11)27-10-26-14/h1-7H,8-10H2,(H,19,20,25)