2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[[4-(ethylamino)-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[[4-(ethylamino)quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C23H22N6OS/c1-4-25-21-15-9-5-6-10-17(15)26-23(27-21)31-14-20(30)16(13-24)22-28(2)18-11-7-8-12-19(18)29(22)3/h5-12H,4,14H2,1-3H3,(H,25,26,27)