ethyl 5-naphthalen-1-ylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 5-naphthalen-1-ylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 5-(1-naphthylimino)-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-(1-naphthalenylimino)-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-naphthalen-1-ylimino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-(1-naphthylimino)-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NC2=CC=CC3=CC=CC=C32)S1)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=NC2=CC=CC3=CC=CC=C32)S1)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-2-29-20(26)19-23-24(15-10-12-16(13-11-15)25(27)28)21(30-19)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3