4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C19H24N5S2+ MolecularWeight: 386.55736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C19H23N5S2/c1-21-18(14-17-8-5-13-26-17)20-24(19(21)25)15-22-9-11-23(12-10-22)16-6-3-2-4-7-16/h2-8,13H,9-12,14-15H2,1H3/p+1