N,N-diethyl-4-(4-methoxyphenyl)-1,1-bis(oxidanylidene)-5-(2-phenylethynyl)-1,2-thiazol-3-amine

Systemtic Name: N,N-diethyl-4-(4-methoxyphenyl)-1,1-bis(oxidanylidene)-5-(2-phenylethynyl)-1,2-thiazol-3-amine Openeye Name: N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-(2-phenylethynyl)isothiazol-3-amine CAS Name: N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-(2-phenylethynyl)-3-isothiazolamine IUPAC Name: N,N-diethyl-4-(4-methoxyphenyl)-1,1-dioxo-5-(2-phenylethynyl)-1,2-thiazol-3-amine Traditional Name: [1,1-diketo-4-(4-methoxyphenyl)-5-(2-phenylethynyl)isothiazol-3-yl]-diethyl-amine Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NS(=O)(=O)C(=C1C2=CC=C(C=C2)OC)C#CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=NS(=O)(=O)C(=C1C2=CC=C(C=C2)OC)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-4-24(5-2)22-21(18-12-14-19(27-3)15-13-18)20(28(25,26)23-22)16-11-17-9-7-6-8-10-17/h6-10,12-15H,4-5H2,1-3H3