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

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea Openeye Name: 1-(4-methyl-2-oxo-chromen-7-yl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-[(1-methyl-3-pyrazolyl)methyl]thiourea IUPAC Name: 1-(4-methyl-2-oxochromen-7-yl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=NN(C=C3)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=NN(C=C3)C

InChI

InChI=1S/C16H16N4O2S/c1-10-7-15(21)22-14-8-11(3-4-13(10)14)18-16(23)17-9-12-5-6-20(2)19-12/h3-8H,9H2,1-2H3,(H2,17,18,23)