2-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C19H18N6OS MolecularWeight: 378.45082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)C

InChI

InChI=1S/C19H18N6OS/c1-11-6-5-9-15(13(11)3)25-19(22-23-24-25)27-10-16-20-17-12(2)7-4-8-14(17)18(26)21-16/h4-9H,10H2,1-3H3,(H,20,21,26)