(Z)-3-azanyl-2-[2-(4-nitrophenoxy)ethanethioyl]but-2-enenitrile

Systemtic Name: (Z)-3-azanyl-2-[2-(4-nitrophenoxy)ethanethioyl]but-2-enenitrile Openeye Name: (Z)-3-amino-2-[2-(4-nitrophenoxy)ethanethioyl]but-2-enenitrile CAS Name: (Z)-3-amino-2-[2-(4-nitrophenoxy)-1-sulfanylideneethyl]-2-butenenitrile IUPAC Name: (Z)-3-amino-2-[2-(4-nitrophenoxy)ethanethioyl]but-2-enenitrile Traditional Name: (Z)-3-amino-2-[2-(4-nitrophenoxy)thioacetyl]but-2-enenitrile Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=S)COC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(\C#N)/C(=S)COC1=CC=C(C=C1)[N+](=O)[O-])/N

InChI

InChI=1S/C12H11N3O3S/c1-8(14)11(6-13)12(19)7-18-10-4-2-9(3-5-10)15(16)17/h2-5H,7,14H2,1H3/b11-8-