2-cyano-3-[5-(4,5-dimethyl-2-nitro-phenyl)furan-2-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[5-(4,5-dimethyl-2-nitro-phenyl)furan-2-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[5-(4,5-dimethyl-2-nitro-phenyl)-2-furyl]prop-2-enethioamide CAS Name: 2-cyano-3-[5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[5-(4,5-dimethyl-2-nitro-phenyl)-2-furyl]thioacrylamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=S)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=S)N)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O3S/c1-9-5-13(14(19(20)21)6-10(9)2)15-4-3-12(22-15)7-11(8-17)16(18)23/h3-7H,1-2H3,(H2,18,23)