5-(furan-2-yl)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N5OS/c1-20-9-11-21(12-10-20)14-22-18(25)23(15-6-3-2-4-7-15)17(19-22)16-8-5-13-24-16/h2-8,13H,9-12,14H2,1H3/p+1