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

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H17BrN4O2S MolecularWeight: 469.35428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Br

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=CC(=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C21H17BrN4O2S/c1-13-7-20(27)28-19-9-17(5-6-18(13)19)25-21(29)24-16-4-2-3-14(8-16)11-26-12-15(22)10-23-26/h2-10,12H,11H2,1H3,(H2,24,25,29)