[4-[[(E)-4-azanyl-4-oxidanylidene-but-2-enoyl]amino]phenyl] thiocyanate

Systemtic Name: [4-[[(E)-4-azanyl-4-oxidanylidene-but-2-enoyl]amino]phenyl] thiocyanate Openeye Name: [4-[[(E)-4-amino-4-oxo-but-2-enoyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(E)-4-amino-1,4-dioxobut-2-enyl]amino]phenyl] ester IUPAC Name: [4-[[(E)-4-amino-4-oxobut-2-enoyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[(E)-4-amino-4-keto-but-2-enoyl]amino]phenyl] ester Formula: C11H9N3O2S MolecularWeight: 247.27306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C=CC(=O)N)SC#N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C=C/C(=O)N)SC#N

InChI

InChI=1S/C11H9N3O2S/c12-7-17-9-3-1-8(2-4-9)14-11(16)6-5-10(13)15/h1-6H,(H2,13,15)(H,14,16)/b6-5+