3-(1-methoxypropan-2-yl)-2-[1-(1-phenyl-1,2,3,4-tetrazol-5-yl)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1-methoxypropan-2-yl)-2-[1-(1-phenyl-1,2,3,4-tetrazol-5-yl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-methoxy-1-methyl-ethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(1-methoxypropan-2-yl)-2-[1-(1-phenyl-5-tetrazolyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(1-methoxypropan-2-yl)-2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-methoxy-1-methyl-ethyl)-2-[1-(1-phenyltetrazol-5-yl)ethylthio]quinazolin-4-one Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2S/c1-14(13-29-3)26-20(28)17-11-7-8-12-18(17)22-21(26)30-15(2)19-23-24-25-27(19)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3