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

Systemtic Name: naphthalen-2-yl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 2-naphthyl 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 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 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 2-naphthyl ester Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S/c1-23-12-21-22-20(23)29-18-9-7-15(11-17(18)24(26)27)19(25)28-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3