3-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]quinazolin-4-one Openeye Name: 3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]quinazolin-4-one CAS Name: 3-[2-[(1-methyl-5-tetrazolyl)thio]ethyl]-4-quinazolinone IUPAC Name: 3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]quinazolin-4-one Traditional Name: 3-[2-[(1-methyltetrazol-5-yl)thio]ethyl]quinazolin-4-one Formula: C12H12N6OS MolecularWeight: 288.32828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CN1C(=NN=N1)SCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C12H12N6OS/c1-17-12(14-15-16-17)20-7-6-18-8-13-10-5-3-2-4-9(10)11(18)19/h2-5,8H,6-7H2,1H3