[4-(4-but-2-ynoyloxyphenyl)sulfanyl-2,5-diethoxy-phenyl]iminoazanium

Systemtic Name: [4-(4-but-2-ynoyloxyphenyl)sulfanyl-2,5-diethoxy-phenyl]iminoazanium Openeye Name: [4-(4-but-2-ynoyloxyphenyl)sulfanyl-2,5-diethoxy-phenyl]iminoammonium CAS Name: [2,5-diethoxy-4-[[4-(1-oxobut-2-ynoxy)phenyl]thio]phenyl]iminoammonium IUPAC Name: [4-(4-but-2-ynoyloxyphenyl)sulfanyl-2,5-diethoxyphenyl]iminoazanium Traditional Name: [4-[(4-but-2-ynoyloxyphenyl)thio]-2,5-diethoxy-phenyl]iminoammonium Formula: C20H21N2O4S+ MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N=[NH2+])OCC)SC2=CC=C(C=C2)OC(=O)C#CC

Isomeric SMILES

CCOC1=CC(=C(C=C1N=[NH2+])OCC)SC2=CC=C(C=C2)OC(=O)C#CC

InChI

InChI=1S/C20H20N2O4S/c1-4-7-20(23)26-14-8-10-15(11-9-14)27-19-13-17(24-5-2)16(22-21)12-18(19)25-6-3/h8-13,21H,5-6H2,1-3H3/p+1