2-[(3-nitrophenyl)methylsulfinyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-[(3-nitrophenyl)methylsulfinyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-[(3-nitrophenyl)methylsulfinyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-[(3-nitrophenyl)methylsulfinyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-[(3-nitrophenyl)methylsulfinyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(3-nitrobenzyl)sulfinyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(S2)S(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(S2)S(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S2/c1-25-14-8-12(9-15(26-2)16(14)27-3)17-19-20-18(28-17)29(24)10-11-5-4-6-13(7-11)21(22)23/h4-9H,10H2,1-3H3