(6E)-4-chloranyl-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)-4-chloranyl-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)-4-chloro-6-[6-(1-isopropylindazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-chloro-3-methyl-6-[6-(1-propan-2-yl-3-indazolyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-chloro-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)-4-chloro-6-[6-(1-isopropylindazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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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=C1Cl

Isomeric SMILES

CC1=CC(=O)/C(=C/2\C=C(NC(=S)N2)C3=NN(C4=CC=CC=C43)C(C)C)/C=C1Cl

InChI

InChI=1S/C21H19ClN4OS/c1-11(2)26-18-7-5-4-6-13(18)20(25-26)17-10-16(23-21(28)24-17)14-9-15(22)12(3)8-19(14)27/h4-11H,1-3H3,(H2,23,24,28)/b16-14+