(E)-3-azanyl-2-[(E)-(3-bromanyl-5-tert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[(E)-(3-bromanyl-5-tert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-amino-2-[(E)-(3-bromo-5-tert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-amino-2-[(E)-(3-bromo-5-tert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile IUPAC Name: (E)-3-amino-2-[(E)-(3-bromo-5-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-amino-2-[(E)-(3-bromo-5-tert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-3-mercapto-acrylonitrile Formula: C14H15BrN2OS MolecularWeight: 339.2507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C(N)S)C#N)C=C(C1=O)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2OS/c1-14(2,3)10-5-8(6-11(15)12(10)18)4-9(7-16)13(17)19/h4-6,19H,17H2,1-3H3/b8-4+,13-9+