2-[[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-(prop-2-ynylamino)methylidene]propanedinitrile

Systemtic Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-(prop-2-ynylamino)methylidene]propanedinitrile Openeye Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-(prop-2-ynylamino)methylene]propanedinitrile CAS Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-(prop-2-ynylamino)methylidene]propanedinitrile IUPAC Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-(prop-2-ynylamino)methylidene]propanedinitrile Traditional Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-(propargylamino)methylene]malononitrile Formula: C14H16N6S MolecularWeight: 300.38204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6S/c1-3-4-17-14(12(7-15)8-16)18-5-6-21-9-13-11(2)19-10-20-13/h1,10,17-18H,4-6,9H2,2H3,(H,19,20)