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

Systemtic Name: naphthalen-1-ylmethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 1-naphthylmethyl 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 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 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 1-naphthylmethyl ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-24-13-22-23-21(24)30-19-10-9-15(11-18(19)25(27)28)20(26)29-12-16-7-4-6-14-5-2-3-8-17(14)16/h2-11,13H,12H2,1H3