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

Systemtic Name: methyl 5-nitro-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzoate Openeye Name: methyl 2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate CAS Name: 5-nitro-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzoate Traditional Name: 2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H14N4O4S2/c1-7(2)14-12-15-16-13(23-12)22-10-5-4-8(17(19)20)6-9(10)11(18)21-3/h4-7H,1-3H3,(H,14,15)