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

Systemtic Name: 2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]prop-2-enethioamide Openeye Name: 2-cyano-3-(2-methyl-4-nitro-anilino)prop-2-enethioamide CAS Name: 2-cyano-3-(2-methyl-4-nitroanilino)-2-propenethioamide IUPAC Name: 2-cyano-3-(2-methyl-4-nitroanilino)prop-2-enethioamide Traditional Name: 2-cyano-3-(2-methyl-4-nitro-anilino)thioacrylamide Formula: C11H10N4O2S MolecularWeight: 262.2877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C(=S)N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C(=S)N

InChI

InChI=1S/C11H10N4O2S/c1-7-4-9(15(16)17)2-3-10(7)14-6-8(5-12)11(13)18/h2-4,6,14H,1H3,(H2,13,18)