2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[[1-(4-butylphenyl)-5-tetrazolyl]thio]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[1-(4-butylphenyl)tetrazol-5-yl]thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C20H19ClN6OS MolecularWeight: 426.92246

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN6OS/c1-2-3-4-13-5-8-15(9-6-13)27-20(24-25-26-27)29-12-18-22-17-10-7-14(21)11-16(17)19(28)23-18/h5-11H,2-4,12H2,1H3,(H,22,23,28)