4-cyclopropyl-5-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-methyl-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCCC3C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C17H22N4S/c1-13-18-20(17(22)21(13)15-9-10-15)12-19-11-5-8-16(19)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-12H2,1H3/p+1/t16-/m0/s1