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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[1-(4-butylphenyl)-5-tetrazolyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[1-(4-butylphenyl)tetrazol-5-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H20N6OS/c1-2-3-6-14-9-11-15(12-10-14)26-20(23-24-25-26)28-13-18-21-17-8-5-4-7-16(17)19(27)22-18/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,22,27)