1-[(E)-4-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)butan-2-ylideneamino]thiourea thiocyanate

Systemtic Name: 1-[(E)-4-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)butan-2-ylideneamino]thiourea thiocyanate Openeye Name: [(E)-[3-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)-1-methyl-propylidene]amino]thiourea thiocyanate CAS Name: [(E)-4-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)butan-2-ylideneamino]thiourea thiocyanate IUPAC Name: [(E)-4-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)butan-2-ylideneamino]thiourea thiocyanate Traditional Name: [(E)-[3-(1,4-dimethyl-1H-imidazol-1-ium-5-yl)-1-methyl-propylidene]amino]thiourea thiocyanate Formula: C11H18N6S2 MolecularWeight: 298.43082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+](C=N1)C)CCC(=NNC(=S)N)C.C(#N)[S-]

Isomeric SMILES

CC1=C([NH+](C=N1)C)CC/C(=N/NC(=S)N)/C.C(#N)[S-]

InChI

InChI=1S/C10H17N5S.CHNS/c1-7(13-14-10(11)16)4-5-9-8(2)12-6-15(9)3;2-1-3/h6H,4-5H2,1-3H3,(H3,11,14,16);3H/b13-7+;