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

Systemtic Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C18H22N5S2+ MolecularWeight: 372.53078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H21N5S2/c1-20-17(16-8-5-13-25-16)19-23(18(20)24)14-21-9-11-22(12-10-21)15-6-3-2-4-7-15/h2-8,13H,9-12,14H2,1H3/p+1