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

Systemtic Name: methyl 5-nitro-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]benzoate Openeye Name: methyl 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzoate CAS Name: 5-nitro-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O4S2/c1-25-15(22)13-9-12(21(23)24)7-8-14(13)26-17-20-19-16(27-17)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)