(2E)-2-(2-hydroxyethylsulfanyl)-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)ethanenitrile

Systemtic Name: (2E)-2-(2-hydroxyethylsulfanyl)-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)ethanenitrile Openeye Name: (2E)-2-(2-hydroxyethylsulfanyl)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile CAS Name: (2E)-2-(2-hydroxyethylthio)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile IUPAC Name: (2E)-2-(2-hydroxyethylsulfanyl)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile Traditional Name: (2E)-2-(2-hydroxyethylthio)-2-(4-keto-1H-quinazolin-2-ylidene)acetonitrile Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(=C(C#N)SCCO)N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N/C(=C(\C#N)/SCCO)/N2

InChI

InChI=1S/C12H11N3O2S/c13-7-10(18-6-5-16)11-14-9-4-2-1-3-8(9)12(17)15-11/h1-4,14,16H,5-6H2,(H,15,17)/b11-10+