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

Systemtic Name: [4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-26-10-9-19-17-20-21-18(28-17)27-15-8-7-13(11-14(15)22(24)25)16(23)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,20)