methyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate CAS Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C12H12N4O4S2 MolecularWeight: 340.37808

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H12N4O4S2/c1-3-13-11-14-15-12(22-11)21-9-5-4-7(16(18)19)6-8(9)10(17)20-2/h4-6H,3H2,1-2H3,(H,13,14)