2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: N-(2-isopropylpyrazol-3-yl)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: N-(2-isopropylpyrazol-3-yl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C21H21N5O2S/c1-13(2)26-18(8-9-22-26)24-19(27)12-29-21-23-17-11-15-7-5-4-6-14(15)10-16(17)20(28)25(21)3/h4-11,13H,12H2,1-3H3,(H,24,27)