3-[3-(5-methylfuran-2-yl)-4-[(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(5-methylfuran-2-yl)-4-[(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(5-methyl-2-furyl)-4-[(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(5-methyl-2-furanyl)-4-[(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinylidene)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(5-methylfuran-2-yl)-4-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-3-(5-methyl-2-furyl)pyrazol-1-yl]propionitrile Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=C3C(=O)N(C(=S)N3)C4=CC=CC=C4)CCC#N

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C=C3C(=O)N(C(=S)N3)C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C21H17N5O2S/c1-14-8-9-18(28-14)19-15(13-25(24-19)11-5-10-22)12-17-20(27)26(21(29)23-17)16-6-3-2-4-7-16/h2-4,6-9,12-13H,5,11H2,1H3,(H,23,29)