(E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enamide CAS Name: (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(prop-2-ynylamino)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enamide Traditional Name: (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(propargylamino)acrylamide Formula: C14H18N6OS MolecularWeight: 318.39732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C(C#N)C(=O)N)NCC#C

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6OS/c1-3-4-17-14(11(7-15)13(16)21)18-5-6-22-8-12-10(2)19-9-20-12/h1,9,17-18H,4-6,8H2,2H3,(H2,16,21)(H,19,20)/b14-11+