4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-5-(3-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-o-cumenyl-5-(3-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5S/c1-16(2)18-9-3-4-10-19(18)26-20(17-8-7-11-22-14-17)23-25(21(26)27)15-24-12-5-6-13-24/h3-4,7-11,14,16H,5-6,12-13,15H2,1-2H3/p+1