4-[4-(diethylamino)-3-isothiocyanato-phenyl]sulfonyl-N,N-diethyl-2-isothiocyanato-aniline

Systemtic Name: 4-[4-(diethylamino)-3-isothiocyanato-phenyl]sulfonyl-N,N-diethyl-2-isothiocyanato-aniline Openeye Name: 4-[4-(diethylamino)-3-isothiocyanato-phenyl]sulfonyl-N,N-diethyl-2-isothiocyanato-aniline CAS Name: 4-[4-(diethylamino)-3-isothiocyanatophenyl]sulfonyl-N,N-diethyl-2-isothiocyanatoaniline IUPAC Name: 4-[4-(diethylamino)-3-isothiocyanatophenyl]sulfonyl-N,N-diethyl-2-isothiocyanatoaniline Traditional Name: [4-[4-(diethylamino)-3-isothiocyanato-phenyl]sulfonyl-2-isothiocyanato-phenyl]-diethyl-amine Formula: C22H26N4O2S3 MolecularWeight: 474.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)N(CC)CC)N=C=S)N=C=S

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)N(CC)CC)N=C=S)N=C=S

InChI

InChI=1S/C22H26N4O2S3/c1-5-25(6-2)21-11-9-17(13-19(21)23-15-29)31(27,28)18-10-12-22(26(7-3)8-4)20(14-18)24-16-30/h9-14H,5-8H2,1-4H3