N-ethyl-N-[[5-(5-isothiocyanato-1,3-benzoxazol-2-yl)thiophen-2-yl]methyl]ethanamine chloride

Systemtic Name: N-ethyl-N-[[5-(5-isothiocyanato-1,3-benzoxazol-2-yl)thiophen-2-yl]methyl]ethanamine chloride Openeye Name: N-ethyl-N-[[5-(5-isothiocyanato-1,3-benzoxazol-2-yl)-2-thienyl]methyl]ethanamine chloride CAS Name: N-ethyl-N-[[5-(5-isothiocyanato-1,3-benzoxazol-2-yl)-2-thiophenyl]methyl]ethanamine chloride IUPAC Name: N-ethyl-N-[[5-(5-isothiocyanato-1,3-benzoxazol-2-yl)thiophen-2-yl]methyl]ethanamine chloride Traditional Name: diethyl-[[5-(5-isothiocyanato-1,3-benzoxazol-2-yl)-2-thienyl]methyl]amine chloride Formula: C17H17ClN3OS2- MolecularWeight: 378.91938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(S1)C2=NC3=C(O2)C=CC(=C3)N=C=S.[Cl-]

Isomeric SMILES

CCN(CC)CC1=CC=C(S1)C2=NC3=C(O2)C=CC(=C3)N=C=S.[Cl-]

InChI

InChI=1S/C17H17N3OS2.ClH/c1-3-20(4-2)10-13-6-8-16(23-13)17-19-14-9-12(18-11-22)5-7-15(14)21-17;/h5-9H,3-4,10H2,1-2H3;1H/p-1