(E)-2-isocyano-3-[4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenoxy]prop-2-enenitrile

Systemtic Name: (E)-2-isocyano-3-[4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenoxy]prop-2-enenitrile Openeye Name: (E)-2-isocyano-3-[4-(5-thioxo-2H-tetrazol-1-yl)phenoxy]prop-2-enenitrile CAS Name: (E)-2-isocyano-3-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenoxy]-2-propenenitrile IUPAC Name: (E)-2-isocyano-3-[4-(5-sulfanylidene-2H-tetrazol-1-yl)phenoxy]prop-2-enenitrile Traditional Name: (E)-2-isocyano-3-[4-(5-thioxo-2H-tetrazol-1-yl)phenoxy]acrylonitrile Formula: C11H6N6OS MolecularWeight: 270.26994

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C(=COC1=CC=C(C=C1)N2C(=S)N=NN2)C#N

Isomeric SMILES

[C-]#[N+]/C(=C/OC1=CC=C(C=C1)N2C(=S)N=NN2)/C#N

InChI

InChI=1S/C11H6N6OS/c1-13-8(6-12)7-18-10-4-2-9(3-5-10)17-11(19)14-15-16-17/h2-5,7H,(H,14,16,19)/b8-7+