1-[4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]ethanone Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4S2/c1-3-23-8-4-7-16-14-17-18-15(25-14)24-13-6-5-11(10(2)20)9-12(13)19(21)22/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)