N-[3-(3-nitrophenyl)-5-(phenylsulfonyl)-1,3,4-thiadiazol-2-ylidene]benzamide

Systemtic Name: N-[3-(3-nitrophenyl)-5-(phenylsulfonyl)-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[5-(benzenesulfonyl)-3-(3-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[5-(benzenesulfonyl)-3-(3-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[5-(benzenesulfonyl)-3-(3-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[5-besyl-3-(3-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C21H14N4O5S2 MolecularWeight: 466.48966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N=C2N(N=C(S2)S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N=C2N(N=C(S2)S(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5S2/c26-19(15-8-3-1-4-9-15)22-20-24(16-10-7-11-17(14-16)25(27)28)23-21(31-20)32(29,30)18-12-5-2-6-13-18/h1-14H