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

Systemtic Name: (E)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enenitrile Openeye Name: (E)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enenitrile CAS Name: (E)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(prop-2-ynylamino)-2-propenenitrile IUPAC Name: (E)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enenitrile Traditional Name: (E)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(propargylamino)acrylonitrile Formula: C13H17N5S MolecularWeight: 275.37258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5S/c1-3-6-15-13(4-5-14)16-7-8-19-9-12-11(2)17-10-18-12/h1,4,10,15-16H,6-9H2,2H3,(H,17,18)/b13-4+