2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-(4-methylthiazol-2-yl)-3-oxo-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 2-(4-methyl-2-thiazolyl)-3-oxo-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 3-keto-4-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-2-(4-methylthiazol-2-yl)butyronitrile Formula: C18H17N5O2S2 MolecularWeight: 399.48988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S2/c1-12-10-26-16(20-12)14(9-19)15(24)11-27-18-22-21-17(25)23(18)8-7-13-5-3-2-4-6-13/h2-6,10,14H,7-8,11H2,1H3,(H,21,25)