N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-5-nitro-2-furamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC2=NN=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CNC2=NN=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4S/c27-19(17-11-12-18(30-17)26(28)29)23-21-25-24-20(31-21)22-13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16H,13H2,(H,22,24)(H,23,25,27)