3-[[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]amino]benzenecarbonitrile Openeye Name: 3-[[2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]amino]benzonitrile CAS Name: 3-[[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzonitrile IUPAC Name: 3-[[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzonitrile Traditional Name: 3-[[2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]amino]benzonitrile Formula: C20H16N4OS2 MolecularWeight: 392.49724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CNC3=CC=CC(=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)CNC3=CC=CC(=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C20H16N4OS2/c21-12-14-4-1-5-15(10-14)22-13-20(25)24-17(19-7-3-9-27-19)11-16(23-24)18-6-2-8-26-18/h1-10,17,22H,11,13H2/t17-/m1/s1