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

Systemtic Name: 4,5-dimethyl-2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dimethyl-2-[[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dimethyl-2-[[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dimethyl-2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dimethyl-2-[[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H26N5S2+ MolecularWeight: 400.58394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5S2/c1-16-21-25(20(26)22(16)2)15-24-12-10-23(11-13-24)14-18-8-9-19(27-18)17-6-4-3-5-7-17/h3-9H,10-15H2,1-2H3/p+1