4-(4-phenylbutylsulfanyl)pyridine; prop-1-yn-1-amine; dihydrochloride

Systemtic Name: 4-(4-phenylbutylsulfanyl)pyridine; prop-1-yn-1-amine; dihydrochloride Openeye Name: 4-(4-phenylbutylsulfanyl)pyridine; prop-1-yn-1-amine; dihydrochloride CAS Name: 4-(4-phenylbutylthio)pyridine; 1-propyn-1-amine; dihydrochloride IUPAC Name: 4-(4-phenylbutylsulfanyl)pyridine; prop-1-yn-1-amine; dihydrochloride Traditional Name: 4-(4-phenylbutylthio)pyridine; prop-1-ynylamine; dihydrochloride Formula: C18H24Cl2N2S MolecularWeight: 371.36756

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN.C1=CC=C(C=C1)CCCCSC2=CC=NC=C2.Cl.Cl

Isomeric SMILES

CC#CN.C1=CC=C(C=C1)CCCCSC2=CC=NC=C2.Cl.Cl

InChI

InChI=1S/C15H17NS.C3H5N.2ClH/c1-2-6-14(7-3-1)8-4-5-13-17-15-9-11-16-12-10-15;1-2-3-4;;/h1-3,6-7,9-12H,4-5,8,13H2;4H2,1H3;2*1H