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

Systemtic Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione Formula: C17H21N4S4+ MolecularWeight: 409.63544

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=S)S1)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCSC1=NN(C(=S)S1)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H20N4S4/c1-2-10-23-16-19-21(17(22)25-16)11-20-9-5-7-13(20)15-18-12-6-3-4-8-14(12)24-15/h3-4,6,8,13H,2,5,7,9-11H2,1H3/p+1/t13-/m1/s1