(E)-but-2-enedioic acid; 2-tert-butyl-1-[6-(3-cyanopropylsulfanyl)pyridin-2-yl]guanidine

Systemtic Name: (E)-but-2-enedioic acid; 2-tert-butyl-1-[6-(3-cyanopropylsulfanyl)pyridin-2-yl]guanidine Openeye Name: 2-tert-butyl-1-[6-(3-cyanopropylsulfanyl)-2-pyridyl]guanidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-tert-butyl-1-[6-(3-cyanopropylthio)-2-pyridinyl]guanidine IUPAC Name: (E)-but-2-enedioic acid; 2-tert-butyl-1-[6-(3-cyanopropylsulfanyl)pyridin-2-yl]guanidine Traditional Name: 2-tert-butyl-1-[6-(3-cyanopropylthio)-2-pyridyl]guanidine; fumaric acid Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)NC1=NC(=CC=C1)SCCCC#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)N=C(N)NC1=NC(=CC=C1)SCCCC#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H21N5S.C4H4O4/c1-14(2,3)19-13(16)18-11-7-6-8-12(17-11)20-10-5-4-9-15;5-3(6)1-2-4(7)8/h6-8H,4-5,10H2,1-3H3,(H3,16,17,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+