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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)N4CCOCC4

InChI

InChI=1S/C19H21N7O2S/c1-2-26-18(25-7-9-28-10-8-25)23-24-19(26)29-12-16(27)13(11-20)17-21-14-5-3-4-6-15(14)22-17/h3-6,21-22H,2,7-10,12H2,1H3