(2S)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: (2S)-4-[[4-(ethylamino)-2-quinazolinyl]thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: (2S)-4-[[4-(ethylamino)quinazolin-2-yl]thio]-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)C(C#N)C3=NC(=CS3)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)[C@H](C#N)C3=NC(=CS3)C

InChI

InChI=1S/C18H17N5OS2/c1-3-20-16-12-6-4-5-7-14(12)22-18(23-16)26-10-15(24)13(8-19)17-21-11(2)9-25-17/h4-7,9,13H,3,10H2,1-2H3,(H,20,22,23)/t13-/m0/s1