2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Formula: C18H22N5S2+ MolecularWeight: 372.53078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)C5CC5

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3)C5CC5

InChI

InChI=1S/C18H21N5S2/c1-21-16(12-8-9-12)20-23(18(21)24)11-22-10-4-6-14(22)17-19-13-5-2-3-7-15(13)25-17/h2-3,5,7,12,14H,4,6,8-11H2,1H3/p+1/t14-/m1/s1