(2S,3R,4R,5S)-3,5-dicyano-2,4-dipyridin-3-yl-6-sulfanylidene-piperidine-3-carbothioamide

Systemtic Name: (2S,3R,4R,5S)-3,5-dicyano-2,4-dipyridin-3-yl-6-sulfanylidene-piperidine-3-carbothioamide Openeye Name: (2S,3R,4R,5S)-3,5-dicyano-2,4-bis(3-pyridyl)-6-thioxo-piperidine-3-carbothioamide CAS Name: (2S,3R,4R,5S)-3,5-dicyano-2,4-bis(3-pyridinyl)-6-sulfanylidene-3-piperidinecarbothioamide IUPAC Name: (2S,3R,4R,5S)-3,5-dicyano-2,4-dipyridin-3-yl-6-sulfanylidenepiperidine-3-carbothioamide Traditional Name: (2S,3R,4R,5S)-3,5-dicyano-2,4-bis(3-pyridyl)-6-thioxo-thionipecotamide Formula: C18H14N6S2 MolecularWeight: 378.47396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2C(C(=S)NC(C2(C#N)C(=S)N)C3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC(=CN=C1)[C@H]2[C@H](C(=S)N[C@H]([C@]2(C#N)C(=S)N)C3=CN=CC=C3)C#N

InChI

InChI=1S/C18H14N6S2/c19-7-13-14(11-3-1-5-22-8-11)18(10-20,17(21)26)15(24-16(13)25)12-4-2-6-23-9-12/h1-6,8-9,13-15H,(H2,21,26)(H,24,25)/t13-,14+,15+,18-/m1/s1