1-(5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one

Systemtic Name: 1-(5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one Openeye Name: 1-[5-(1-naphthylsulfanyl)-3-nitro-1,2,4-triazol-1-yl]propan-2-one CAS Name: 1-[5-(1-naphthalenylthio)-3-nitro-1,2,4-triazol-1-yl]-2-propanone IUPAC Name: 1-(5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one Traditional Name: 1-[5-(1-naphthylthio)-3-nitro-1,2,4-triazol-1-yl]acetone Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O3S/c1-10(20)9-18-15(16-14(17-18)19(21)22)23-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3