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

Systemtic Name: 3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 3-oxo-2-(4-phenylthiazol-2-yl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 3-oxo-2-(4-phenyl-2-thiazolyl)-4-[(4-phenyl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 3-keto-2-(4-phenylthiazol-2-yl)-4-[(4-phenyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C21H15N5OS2 MolecularWeight: 417.5067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H15N5OS2/c22-11-17(20-24-18(12-28-20)15-7-3-1-4-8-15)19(27)13-29-21-25-23-14-26(21)16-9-5-2-6-10-16/h1-10,12,14,17H,13H2