3-[2-cyanoethyl-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[3-(2,4-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[[3-(2,4-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[[3-(2,4-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[3-(2,4-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]amino]propionitrile Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN(CCC#N)CCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN(CCC#N)CCC#N)C

InChI

InChI=1S/C18H21N5S/c1-15-5-6-17(16(2)13-15)23-12-11-22(18(23)24)14-21(9-3-7-19)10-4-8-20/h5-6,11-13H,3-4,9-10,14H2,1-2H3