N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-26-15-9-2-12(3-10-15)4-11-16-20-21-18(27-16)19-17(23)13-5-7-14(8-6-13)22(24)25/h2-3,5-10H,4,11H2,1H3,(H,19,21,23)