2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C22H21N7OS MolecularWeight: 431.51344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C4=CC=NC=C4

InChI

InChI=1S/C22H21N7OS/c1-4-29-20(15-9-11-24-12-10-15)25-26-22(29)31-14-19(30)16(13-23)21-27(2)17-7-5-6-8-18(17)28(21)3/h5-12H,4,14H2,1-3H3