4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)C(C#N)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)C(C#N)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N5OS2/c22-10-16(20-23-17(11-28-20)13-4-2-1-3-5-13)18(27)12-29-21-25-24-19(14-6-7-14)26(21)15-8-9-15/h1-5,11,14-16H,6-9,12H2