3-[(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H21N5O2S/c28-20-17-11-5-7-13-19(17)24-25-26(20)14-30-22-23-18-12-6-4-10-16(18)21(29)27(22)15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2