1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(4-methyl-2-oxo-chromen-7-yl)-3-[1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-methyl-2-oxochromen-7-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C22H20N4O2S/c1-14-5-3-4-6-16(14)12-26-13-18(11-23-26)25-22(29)24-17-7-8-19-15(2)9-21(27)28-20(19)10-17/h3-11,13H,12H2,1-2H3,(H2,24,25,29)