5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxo-tetrahydrofuran-3-yl]amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxo-3-oxolanyl]amino]-3-(methylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[[5-(2,5-dimethoxyphenyl)-5-methyl-2-oxooxolan-3-yl]amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-[[5-(2,5-dimethoxyphenyl)-2-keto-5-methyl-tetrahydrofuran-3-yl]amino]-3-(methylthio)-1H-pyrazole-4-carbonitrile Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)NC2=C(C(=NN2)SC)C#N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1(CC(C(=O)O1)NC2=C(C(=NN2)SC)C#N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C18H20N4O4S/c1-18(12-7-10(24-2)5-6-14(12)25-3)8-13(17(23)26-18)20-15-11(9-19)16(27-4)22-21-15/h5-7,13H,8H2,1-4H3,(H2,20,21,22)