N,N-diethyl-4-[[5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[[5-(o-anisidino)-1,3,4-thiadiazol-2-yl]thio]benzenesulfonamide Formula: C19H21N5O5S3 MolecularWeight: 495.59554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S3/c1-4-23(5-2)32(27,28)13-10-11-17(15(12-13)24(25)26)30-19-22-21-18(31-19)20-14-8-6-7-9-16(14)29-3/h6-12H,4-5H2,1-3H3,(H,20,21)