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

Systemtic Name: [4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S2/c1-2-28-12-6-11-21-19-22-23-20(30-19)29-17-10-9-15(13-16(17)24(26)27)18(25)14-7-4-3-5-8-14/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,22)