methyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]amino]benzoate CAS Name: 3-[[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]amino]benzoate Traditional Name: 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S/c1-22-10-19-21-18(22)29-15-7-6-11(9-14(15)23(26)27)16(24)20-13-5-3-4-12(8-13)17(25)28-2/h3-10H,1-2H3,(H,20,24)