(6E)-3-methyl-6-[6-(1-propan-2-ylindazol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-methyl-6-[6-(1-propan-2-ylindazol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[6-(1-isopropylindazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-methyl-6-[6-(1-propan-2-yl-3-indazolyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-methyl-6-[6-(1-propan-2-ylindazol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[6-(1-isopropylindazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2C=C(NC(=S)N2)C3=NN(C4=CC=CC=C43)C(C)C)C=C1

Isomeric SMILES

CC1=CC(=O)/C(=C/2\C=C(NC(=S)N2)C3=NN(C4=CC=CC=C43)C(C)C)/C=C1

InChI

InChI=1S/C21H20N4OS/c1-12(2)25-18-7-5-4-6-15(18)20(24-25)17-11-16(22-21(27)23-17)14-9-8-13(3)10-19(14)26/h4-12H,1-3H3,(H2,22,23,27)/b16-14+