methyl 4-[[5-[(3-methyl-4-nitro-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(3-methyl-4-nitro-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(3-methyl-4-nitro-benzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(3-methyl-4-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(3-methyl-4-nitro-benzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H16N4O5S2 MolecularWeight: 444.48414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5S2/c1-11-9-14(7-8-15(11)23(26)27)16(24)20-18-21-22-19(30-18)29-10-12-3-5-13(6-4-12)17(25)28-2/h3-9H,10H2,1-2H3,(H,20,21,24)