3-[(Z)-(6-chloranyl-4-oxidanylidene-thiochromen-3-ylidene)methyl]benzenecarbonitrile

Systemtic Name: 3-[(Z)-(6-chloranyl-4-oxidanylidene-thiochromen-3-ylidene)methyl]benzenecarbonitrile Openeye Name: 3-[(Z)-(6-chloro-4-oxo-thiochroman-3-ylidene)methyl]benzonitrile CAS Name: 3-[(Z)-(6-chloro-4-oxo-1-benzothiopyran-3-ylidene)methyl]benzonitrile IUPAC Name: 3-[(Z)-(6-chloro-4-oxothiochromen-3-ylidene)methyl]benzonitrile Traditional Name: 3-[(Z)-(6-chloro-4-keto-thiochroman-3-ylidene)methyl]benzonitrile Formula: C17H10ClNOS MolecularWeight: 311.7854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=CC(=C2)C#N)C(=O)C3=C(S1)C=CC(=C3)Cl

Isomeric SMILES

C1/C(=C\C2=CC=CC(=C2)C#N)/C(=O)C3=C(S1)C=CC(=C3)Cl

InChI

InChI=1S/C17H10ClNOS/c18-14-4-5-16-15(8-14)17(20)13(10-21-16)7-11-2-1-3-12(6-11)9-19/h1-8H,10H2/b13-7+