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

Systemtic Name: (E)-3-azanyl-2-[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-amino-2-[(E)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-amino-2-[(E)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile IUPAC Name: (E)-3-amino-2-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-amino-2-[(E)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-3-mercapto-acrylonitrile Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=CC(=C(N)S)C#N)O.C1=CC(=O)C(=CC1=CC(=C(N)S)C#N)O

Isomeric SMILES

C\1=CC(=O)C(=C/C1=C/C(=C(\S)/N)/C#N)O.C\1=CC(=O)C(=C/C1=C/C(=C(\S)/N)/C#N)O

InChI

InChI=1S/2C10H8N2O2S/c2*11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h2*1-4,14-15H,12H2/b2*6-3+,10-7+