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

Systemtic Name: 2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[1-(2,5-dimethylphenyl)-5-tetrazolyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[1-(2,5-dimethylphenyl)tetrazol-5-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H16N6OS/c1-11-7-8-12(2)15(9-11)24-18(21-22-23-24)26-10-16-19-14-6-4-3-5-13(14)17(25)20-16/h3-9H,10H2,1-2H3,(H,19,20,25)