(E)-3-azanyl-2-[(E)-(3-oxidanylidenequinolin-4-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[(E)-(3-oxidanylidenequinolin-4-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-amino-2-[(E)-(3-oxo-4-quinolylidene)methyl]-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-amino-3-mercapto-2-[(E)-(3-oxo-4-quinolinylidene)methyl]-2-propenenitrile IUPAC Name: (E)-3-amino-2-[(E)-(3-oxoquinolin-4-ylidene)methyl]-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-amino-2-[(E)-(3-keto-4-quinolylidene)methyl]-3-mercapto-acrylonitrile Formula: C13H9N3OS MolecularWeight: 255.29506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C(N)S)C#N)C(=O)C=N2

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3OS/c14-6-8(13(15)18)5-10-9-3-1-2-4-11(9)16-7-12(10)17/h1-5,7,18H,15H2/b10-5+,13-8+