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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C13H12N6OS MolecularWeight: 300.33898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C13H12N6OS/c20-12-9-3-1-2-4-10(9)14-11(15-12)7-21-13-16-17-18-19(13)8-5-6-8/h1-4,8H,5-7H2,(H,14,15,20)