N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]thiazol-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[4-[[(3,5-dimethoxyphenyl)methylthio]methyl]-2-thiazolyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-[[(3,5-dimethoxybenzyl)thio]methyl]thiazol-2-yl]-5-nitro-2-furamide Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O6S2/c1-25-13-5-11(6-14(7-13)26-2)8-28-9-12-10-29-18(19-12)20-17(22)15-3-4-16(27-15)21(23)24/h3-7,10H,8-9H2,1-2H3,(H,19,20,22)