2-methyl-1-[4-[[4-(4-methylphenyl)-3-pyrrolidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[[4-(4-methylphenyl)-3-pyrrolidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[[4-(p-tolyl)-3-pyrrolidin-1-yl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[[4-(4-methylphenyl)-3-(1-pyrrolidinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[[4-(4-methylphenyl)-3-pyrrolidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[[4-(p-tolyl)-3-pyrrolidino-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C22H33N6OS+ MolecularWeight: 429.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C(=O)C(C)C)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C(=O)C(C)C)N4CCCC4

InChI

InChI=1S/C22H32N6OS/c1-17(2)20(29)25-14-12-24(13-15-25)16-27-22(30)28(19-8-6-18(3)7-9-19)21(23-27)26-10-4-5-11-26/h6-9,17H,4-5,10-16H2,1-3H3/p+1