N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O5S2/c1-12-3-8-16(11-13(12)2)30(27,28)10-9-17-21-22-19(29-17)20-18(24)14-4-6-15(7-5-14)23(25)26/h3-8,11H,9-10H2,1-2H3,(H,20,22,24)