2,5-bis(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazole; 4-methylbenzenesulfonic acid

Systemtic Name: 2,5-bis(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazole; 4-methylbenzenesulfonic acid Openeye Name: 2,5-bis(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazole; 4-methylbenzenesulfonic acid CAS Name: 2,5-bis[2-(1-pyrrolidinyl)ethylthio]-1,3,4-thiadiazole; 4-methylbenzenesulfonic acid IUPAC Name: 2,5-bis(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazole; 4-methylbenzenesulfonic acid Traditional Name: 2,5-bis(2-pyrrolidinoethylthio)-1,3,4-thiadiazole; tosylic acid Formula: C28H40N4O6S5 MolecularWeight: 688.9654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)CCSC2=NN=C(S2)SCCN3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)CCSC2=NN=C(S2)SCCN3CCCC3

InChI

InChI=1S/C14H24N4S3.2C7H8O3S/c1-2-6-17(5-1)9-11-19-13-15-16-14(21-13)20-12-10-18-7-3-4-8-18;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-12H2;2*2-5H,1H3,(H,8,9,10)