5-[(5-butyl-2-oxidanylidene-5-phenyl-oxolan-3-yl)amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[(5-butyl-2-oxidanylidene-5-phenyl-oxolan-3-yl)amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-[(5-butyl-2-oxo-5-phenyl-tetrahydrofuran-3-yl)amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-[(5-butyl-2-oxo-5-phenyl-3-oxolanyl)amino]-3-(methylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[(5-butyl-2-oxo-5-phenyloxolan-3-yl)amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-[(5-butyl-2-keto-5-phenyl-tetrahydrofuran-3-yl)amino]-3-(methylthio)-1H-pyrazole-4-carbonitrile Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(C(=O)O1)NC2=C(C(=NN2)SC)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCC1(CC(C(=O)O1)NC2=C(C(=NN2)SC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2S/c1-3-4-10-19(13-8-6-5-7-9-13)11-15(18(24)25-19)21-16-14(12-20)17(26-2)23-22-16/h5-9,15H,3-4,10-11H2,1-2H3,(H2,21,22,23)