methyl (Z)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (Z)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (Z)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-methylsulfanyl-prop-2-enoate CAS Name: (Z)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-methylsulfanylprop-2-enoate Traditional Name: (Z)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(methylthio)acrylic acid methyl ester Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C(C#N)C(=O)OC)SC

Isomeric SMILES

CC1=C(N=CN1)CSCCN/C(=C(\C#N)/C(=O)OC)/SC

InChI

InChI=1S/C13H18N4O2S2/c1-9-11(17-8-16-9)7-21-5-4-15-12(20-3)10(6-14)13(18)19-2/h8,15H,4-5,7H2,1-3H3,(H,16,17)/b12-10-