2-methyl-N-(5-oxidanylidene-1-phenyl-4-tetradecylsulfanyl-4H-pyrazol-3-yl)prop-2-enamide

Systemtic Name: 2-methyl-N-(5-oxidanylidene-1-phenyl-4-tetradecylsulfanyl-4H-pyrazol-3-yl)prop-2-enamide Openeye Name: 2-methyl-N-(5-oxo-1-phenyl-4-tetradecylsulfanyl-4H-pyrazol-3-yl)prop-2-enamide CAS Name: 2-methyl-N-[5-oxo-1-phenyl-4-(tetradecylthio)-4H-pyrazol-3-yl]-2-propenamide IUPAC Name: 2-methyl-N-(5-oxo-1-phenyl-4-tetradecylsulfanyl-4H-pyrazol-3-yl)prop-2-enamide Traditional Name: N-[5-keto-4-(myristylthio)-1-phenyl-2-pyrazolin-3-yl]-2-methyl-acrylamide Formula: C27H41N3O2S MolecularWeight: 471.69834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSC1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCSC1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(=C)C

InChI

InChI=1S/C27H41N3O2S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-33-24-25(28-26(31)22(2)3)29-30(27(24)32)23-19-16-15-17-20-23/h15-17,19-20,24H,2,4-14,18,21H2,1,3H3,(H,28,29,31)