2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H28N4O3S/c1-16-17(2)25(26(28)33)27(29-18(16)3)35-15-24(32)31-23(20-10-12-21(34-4)13-11-20)14-22(30-31)19-8-6-5-7-9-19/h5-13,23H,14-15H2,1-4H3,(H2,28,33)