(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-imidazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-1-imidazolyl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (3-cyclopentyl-4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H30N5S+ MolecularWeight: 396.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C22H29N5S/c1-17-18(2)27(21-11-7-8-12-21)22(28)25(17)16-24(3)14-19-13-23-26(15-19)20-9-5-4-6-10-20/h4-6,9-10,13,15,21H,7-8,11-12,14,16H2,1-3H3/p+1