(Z)-but-2-enedioic acid; 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)-5-chloranyl-1,3-thiazol-2-amine

Systemtic Name: (Z)-but-2-enedioic acid; 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)-5-chloranyl-1,3-thiazol-2-amine Openeye Name: 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)-5-chloro-thiazol-2-amine; maleic acid CAS Name: (Z)-2-butenedioic acid; 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)-5-chloro-2-thiazolamine IUPAC Name: (Z)-but-2-enedioic acid; 4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)-5-chloro-1,3-thiazol-2-amine Traditional Name: [4-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)-5-chloro-thiazol-2-yl]amine; maleic acid Formula: C16H22ClN3O4S MolecularWeight: 387.88158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC=C(C1)C2=C(SC(=N2)N)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN1CCC=C(C1)C2=C(SC(=N2)N)Cl.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18ClN3S.C4H4O4/c1-2-3-6-16-7-4-5-9(8-16)10-11(13)17-12(14)15-10;5-3(6)1-2-4(7)8/h5H,2-4,6-8H2,1H3,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-