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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[1-(4-butylphenyl)-5-tetrazolyl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[1-(4-butylphenyl)tetrazol-5-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C21H22N6OS/c1-3-4-7-15-9-11-16(12-10-15)27-21(24-25-26-27)29-13-18-22-19-14(2)6-5-8-17(19)20(28)23-18/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,22,23,28)