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

Systemtic Name: N-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[5-(3-nitrophenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C21H13N5O5S MolecularWeight: 447.42342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N5O5S/c27-19(14-5-2-1-3-6-14)22-21-24(16-9-11-17(12-10-16)25(28)29)23-20(32-21)15-7-4-8-18(13-15)26(30)31/h1-13H