4-(4-chloranyl-2-nitro-phenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-(4-chloro-2-nitrophenoxy)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H13ClN4O4S2 MolecularWeight: 436.89252

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O4S2/c1-2-27-17-21-20-16(28-17)19-15(23)10-3-6-12(7-4-10)26-14-8-5-11(18)9-13(14)22(24)25/h3-9H,2H2,1H3,(H,19,20,23)