S-butyl (E)-3-azanyl-3-butylsulfanyl-2-cyano-prop-2-enethioate

Systemtic Name: S-butyl (E)-3-azanyl-3-butylsulfanyl-2-cyano-prop-2-enethioate Openeye Name: S-butyl (E)-3-amino-3-butylsulfanyl-2-cyano-prop-2-enethioate CAS Name: (E)-3-amino-3-(butylthio)-2-cyano-2-propenethioic acid S-butyl ester IUPAC Name: S-butyl (E)-3-amino-3-butylsulfanyl-2-cyanoprop-2-enethioate Traditional Name: (E)-3-amino-3-(butylthio)-2-cyano-prop-2-enethioic acid S-butyl ester Formula: C12H20N2OS2 MolecularWeight: 272.43

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=C(C#N)C(=O)SCCCC)N

Isomeric SMILES

CCCCS/C(=C(\C#N)/C(=O)SCCCC)/N

InChI

InChI=1S/C12H20N2OS2/c1-3-5-7-16-11(14)10(9-13)12(15)17-8-6-4-2/h3-8,14H2,1-2H3/b11-10+