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

Systemtic Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C22H23N5OS2 MolecularWeight: 437.58092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NN(C(=N2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5OS2/c1-15-13-29-21(24-15)18(12-23)19(28)14-30-22-25-20(16-8-4-2-5-9-16)27(26-22)17-10-6-3-7-11-17/h3,6-7,10-11,13,16,18H,2,4-5,8-9,14H2,1H3