2-[4-(4-methylphenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanenitrile

Systemtic Name: 2-[4-(4-methylphenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanenitrile Openeye Name: 3-oxo-2-[4-(p-tolyl)-3H-thiazol-2-ylidene]-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanenitrile CAS Name: 2-[4-(4-methylphenyl)-3H-thiazol-2-ylidene]-3-oxo-4-(1H-1,2,4-triazol-5-ylthio)butanenitrile IUPAC Name: 2-[4-(4-methylphenyl)-3H-1,3-thiazol-2-ylidene]-3-oxo-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanenitrile Traditional Name: 3-keto-2-[4-(p-tolyl)-4-thiazolin-2-ylidene]-4-(1H-1,2,4-triazol-5-ylthio)butyronitrile Formula: C16H13N5OS2 MolecularWeight: 355.43732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C(C#N)C(=O)CSC3=NC=NN3)N2

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C(C#N)C(=O)CSC3=NC=NN3)N2

InChI

InChI=1S/C16H13N5OS2/c1-10-2-4-11(5-3-10)13-7-23-15(20-13)12(6-17)14(22)8-24-16-18-9-19-21-16/h2-5,7,9,20H,8H2,1H3,(H,18,19,21)