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

Systemtic Name: 4-methyl-2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-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)CC3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4

InChI

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