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

Systemtic Name: 3-methylsulfanyl-5-[(2-oxidanylidene-5-phenyl-5-propyl-oxolan-3-yl)amino]-1H-pyrazole-4-carbonitrile Openeye Name: 3-methylsulfanyl-5-[(2-oxo-5-phenyl-5-propyl-tetrahydrofuran-3-yl)amino]-1H-pyrazole-4-carbonitrile CAS Name: 3-(methylthio)-5-[(2-oxo-5-phenyl-5-propyl-3-oxolanyl)amino]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-methylsulfanyl-5-[(2-oxo-5-phenyl-5-propyloxolan-3-yl)amino]-1H-pyrazole-4-carbonitrile Traditional Name: 5-[(2-keto-5-phenyl-5-propyl-tetrahydrofuran-3-yl)amino]-3-(methylthio)-1H-pyrazole-4-carbonitrile Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(C(=O)O1)NC2=C(C(=NN2)SC)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(C(=O)O1)NC2=C(C(=NN2)SC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c1-3-9-18(12-7-5-4-6-8-12)10-14(17(23)24-18)20-15-13(11-19)16(25-2)22-21-15/h4-8,14H,3,9-10H2,1-2H3,(H2,20,21,22)