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

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H18N6OS/c1-12(2)13-7-9-14(10-8-13)25-19(22-23-24-25)27-11-17-20-16-6-4-3-5-15(16)18(26)21-17/h3-10,12H,11H2,1-2H3,(H,20,21,26)