4-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C18H21N4OS2+ MolecularWeight: 373.51554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CC=CS4

InChI

InChI=1S/C18H20N4OS2/c1-23-15-8-3-2-7-14(15)22-17(16-9-6-12-25-16)19-21(18(22)24)13-20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3/p+1