3-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]propyl-diethyl-azanium Openeye Name: 3-[[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]carbamothioylamino]propyl-diethyl-ammonium CAS Name: 3-[[[[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]propyl-diethylazanium Traditional Name: 3-[[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]propyl-diethyl-ammonium Formula: C21H34N5S+ MolecularWeight: 388.59316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)NC1=C(N(N=C1C)CC2=CC=CC=C2C)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)NC1=C(N(N=C1C)CC2=CC=CC=C2C)C

InChI

InChI=1S/C21H33N5S/c1-6-25(7-2)14-10-13-22-21(27)23-20-17(4)24-26(18(20)5)15-19-12-9-8-11-16(19)3/h8-9,11-12H,6-7,10,13-15H2,1-5H3,(H2,22,23,27)/p+1