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

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid [4-(2-thenoylamino)phenyl] ester Formula: C21H15N5O5S2 MolecularWeight: 481.5043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5S2/c1-25-12-22-24-21(25)33-17-9-4-13(11-16(17)26(29)30)20(28)31-15-7-5-14(6-8-15)23-19(27)18-3-2-10-32-18/h2-12H,1H3,(H,23,27)