ethanedioic acid; N-phenethyl-4-pyridin-2-yl-1,3-thiazol-2-amine

Systemtic Name: ethanedioic acid; N-phenethyl-4-pyridin-2-yl-1,3-thiazol-2-amine Openeye Name: oxalic acid; N-phenethyl-4-(2-pyridyl)thiazol-2-amine CAS Name: oxalic acid; N-phenethyl-4-(2-pyridinyl)-2-thiazolamine IUPAC Name: oxalic acid; N-phenethyl-4-pyridin-2-yl-1,3-thiazol-2-amine Traditional Name: oxalic acid; phenethyl-[4-(2-pyridyl)thiazol-2-yl]amine Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=CS2)C3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=CS2)C3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15N3S.C2H2O4/c1-2-6-13(7-3-1)9-11-18-16-19-15(12-20-16)14-8-4-5-10-17-14;3-1(4)2(5)6/h1-8,10,12H,9,11H2,(H,18,19);(H,3,4)(H,5,6)