(NE)-3-(4-ethoxyphenyl)-N-(pyrrolidin-1-ylmethylidene)-1,2,4-thiadiazole-5-sulfonamide

Systemtic Name: (NE)-3-(4-ethoxyphenyl)-N-(pyrrolidin-1-ylmethylidene)-1,2,4-thiadiazole-5-sulfonamide Openeye Name: (NE)-3-(4-ethoxyphenyl)-N-(pyrrolidin-1-ylmethylene)-1,2,4-thiadiazole-5-sulfonamide CAS Name: (NE)-3-(4-ethoxyphenyl)-N-(1-pyrrolidinylmethylidene)-1,2,4-thiadiazole-5-sulfonamide IUPAC Name: (NE)-3-(4-ethoxyphenyl)-N-(pyrrolidin-1-ylmethylidene)-1,2,4-thiadiazole-5-sulfonamide Traditional Name: (NE)-3-p-phenetyl-N-(pyrrolidinomethylene)-1,2,4-thiadiazole-5-sulfonamide Formula: C15H18N4O3S2 MolecularWeight: 366.45842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NSC(=N2)S(=O)(=O)N=CN3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NSC(=N2)S(=O)(=O)/N=C/N3CCCC3

InChI

InChI=1S/C15H18N4O3S2/c1-2-22-13-7-5-12(6-8-13)14-17-15(23-18-14)24(20,21)16-11-19-9-3-4-10-19/h5-8,11H,2-4,9-10H2,1H3/b16-11+