2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N(C)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=S)N(C)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N5S/c1-25(2)15-14-23-22(28)26(3)16-19-17-27(20-12-8-5-9-13-20)24-21(19)18-10-6-4-7-11-18/h4-13,17H,14-16H2,1-3H3,(H,23,28)/p+1