1-[5-(4-chlorophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one

Systemtic Name: 1-[5-(4-chlorophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one Openeye Name: 1-[5-(4-chlorophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one CAS Name: 1-[5-[(4-chlorophenyl)thio]-3-nitro-1,2,4-triazol-1-yl]-2-propanone IUPAC Name: 1-[5-(4-chlorophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one Traditional Name: 1-[5-[(4-chlorophenyl)thio]-3-nitro-1,2,4-triazol-1-yl]acetone Formula: C11H9ClN4O3S MolecularWeight: 312.73216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H9ClN4O3S/c1-7(17)6-15-11(13-10(14-15)16(18)19)20-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3