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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-cyclohexyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C16H18N6OS MolecularWeight: 342.41872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C16H18N6OS/c23-15-12-8-4-5-9-13(12)17-14(18-15)10-24-16-19-20-21-22(16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18,23)