N-[5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzenecarboximidate

Systemtic Name: N-[5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzenecarboximidate Openeye Name: N-[5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzenecarboximidate CAS Name: N-[5-[(4-methoxycarbonylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-nitrobenzenecarboximidate IUPAC Name: N-[5-[(4-methoxycarbonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzenecarboximidate Traditional Name: N-[5-[(4-carbomethoxybenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-nitro-benzenecarboximidate Formula: C18H13N4O5S2- MolecularWeight: 429.44962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N=C(C3=CC=CC=C3[N+](=O)[O-])[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N=C(C3=CC=CC=C3[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H14N4O5S2/c1-27-16(24)12-8-6-11(7-9-12)10-28-18-21-20-17(29-18)19-15(23)13-4-2-3-5-14(13)22(25)26/h2-9H,10H2,1H3,(H,19,20,23)/p-1