1-methyl-5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazole

Systemtic Name: 1-methyl-5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazole Openeye Name: 1-methyl-5-(1-naphthylsulfanyl)-3-nitro-1,2,4-triazole CAS Name: 1-methyl-5-(1-naphthalenylthio)-3-nitro-1,2,4-triazole IUPAC Name: 1-methyl-5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazole Traditional Name: 1-methyl-5-(1-naphthylthio)-3-nitro-1,2,4-triazole Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C13H10N4O2S/c1-16-13(14-12(15-16)17(18)19)20-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3