2,7-dimethyl-1-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-5-phenyl-1-sulfanylidene-3-thiophen-2-yl-pyrazolo[4,3-c][1,5,2]diazaphosphinine

Systemtic Name: 2,7-dimethyl-1-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-5-phenyl-1-sulfanylidene-3-thiophen-2-yl-pyrazolo[4,3-c][1,5,2]diazaphosphinine Openeye Name: 1-(2-isopropyl-5-methyl-cyclohexoxy)-2,7-dimethyl-5-phenyl-3-(2-thienyl)-1-thioxo-pyrazolo[4,3-c][1,5,2]diazaphosphinine CAS Name: 2,7-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,3-c][1,5,2]diazaphosphorine IUPAC Name: 2,7-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,3-c][1,5,2]diazaphosphinine Traditional Name: 1-(2-isopropyl-5-methyl-cyclohexoxy)-2,7-dimethyl-5-phenyl-3-(2-thienyl)-1-thioxo-pyrazolo[4,3-c][1,5,2]diazaphosphorine Formula: C26H33N4OPS2 MolecularWeight: 512.670181

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP2(=S)C3=C(N=C(N2C)C4=CC=CS4)N(N=C3C)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OP2(=S)C3=C(N=C(N2C)C4=CC=CS4)N(N=C3C)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C26H33N4OPS2/c1-17(2)21-14-13-18(3)16-22(21)31-32(33)24-19(4)28-30(20-10-7-6-8-11-20)26(24)27-25(29(32)5)23-12-9-15-34-23/h6-12,15,17-18,21-22H,13-14,16H2,1-5H3