4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C23H20ClN5O2S2 MolecularWeight: 498.0202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CSC3=NN=C(N3CCOC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CSC3=NN=C(N3CCOC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN5O2S2/c1-28-18-5-3-4-6-20(18)33-22(28)17(13-25)19(30)14-32-23-27-26-21(29(23)11-12-31-2)15-7-9-16(24)10-8-15/h3-10H,11-12,14H2,1-2H3