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

Systemtic Name: (2E)-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)-2-(2-oxidanylpropylsulfanyl)ethanenitrile Openeye Name: (2E)-2-(2-hydroxypropylsulfanyl)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile CAS Name: (2E)-2-(2-hydroxypropylthio)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile IUPAC Name: (2E)-2-(2-hydroxypropylsulfanyl)-2-(4-oxo-1H-quinazolin-2-ylidene)acetonitrile Traditional Name: (2E)-2-(2-hydroxypropylthio)-2-(4-keto-1H-quinazolin-2-ylidene)acetonitrile Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=C1NC2=CC=CC=C2C(=O)N1)C#N)O

Isomeric SMILES

CC(CS/C(=C/1\NC2=CC=CC=C2C(=O)N1)/C#N)O

InChI

InChI=1S/C13H13N3O2S/c1-8(17)7-19-11(6-14)12-15-10-5-3-2-4-9(10)13(18)16-12/h2-5,8,15,17H,7H2,1H3,(H,16,18)/b12-11+