N5-butyl-1,2,4-thiadiazole-3,5-diamine; 4-methylbenzenesulfonic acid

Systemtic Name: N5-butyl-1,2,4-thiadiazole-3,5-diamine; 4-methylbenzenesulfonic acid Openeye Name: N5-butyl-1,2,4-thiadiazole-3,5-diamine; 4-methylbenzenesulfonic acid CAS Name: N5-butyl-1,2,4-thiadiazole-3,5-diamine; 4-methylbenzenesulfonic acid IUPAC Name: 5-N-butyl-1,2,4-thiadiazole-3,5-diamine; 4-methylbenzenesulfonic acid Traditional Name: (3-amino-1,2,4-thiadiazol-5-yl)-butyl-amine; tosylic acid Formula: C13H20N4O3S2 MolecularWeight: 344.4529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NS1)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCNC1=NC(=NS1)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C6H12N4S/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3-4-8-6-9-5(7)10-11-6/h2-5H,1H3,(H,8,9,10);2-4H2,1H3,(H3,7,8,9,10)