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

Systemtic Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C22H17N5OS3 MolecularWeight: 463.59828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C(C#N)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C(C#N)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C22H17N5OS3/c23-11-16(21-24-17(12-30-21)14-5-2-1-3-6-14)18(28)13-31-22-26-25-20(19-7-4-10-29-19)27(22)15-8-9-15/h1-7,10,12,15-16H,8-9,13H2