2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enethioamide Openeye Name: 2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enethioamide CAS Name: 2-cyano-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]prop-2-enethioamide Traditional Name: 2-cyano-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]thioacrylamide Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C(C#N)C(=S)N)[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1C=C(C#N)C(=S)N)[N+](=O)[O-])SCCO

InChI

InChI=1S/C12H11N3O3S2/c13-7-9(12(14)19)5-8-1-2-11(20-4-3-16)10(6-8)15(17)18/h1-2,5-6,16H,3-4H2,(H2,14,19)