(Z)-2-isocyano-3-methylsulfanyl-but-2-enenitrile

Systemtic Name: (Z)-2-isocyano-3-methylsulfanyl-but-2-enenitrile Openeye Name: (Z)-2-isocyano-3-methylsulfanyl-but-2-enenitrile CAS Name: (Z)-2-isocyano-3-(methylthio)-2-butenenitrile IUPAC Name: (Z)-2-isocyano-3-methylsulfanylbut-2-enenitrile Traditional Name: (Z)-2-isocyano-3-(methylthio)but-2-enenitrile Formula: C6H6N2S MolecularWeight: 138.19024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)[N+]#[C-])SC

Isomeric SMILES

C/C(=C(\C#N)/[N+]#[C-])/SC

InChI

InChI=1S/C6H6N2S/c1-5(9-3)6(4-7)8-2/h1,3H3/b6-5-