5-methyl-4-prop-2-enyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-methyl-4-prop-2-enyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-prop-2-enyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-prop-2-enyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C15H22N5O2S3+ MolecularWeight: 400.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H21N5O2S3/c1-3-6-19-13(2)16-20(15(19)23)12-17-7-9-18(10-8-17)25(21,22)14-5-4-11-24-14/h3-5,11H,1,6-10,12H2,2H3/p+1