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

Systemtic Name: 1-[5-(2-aminophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one Openeye Name: 1-[5-(2-aminophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one CAS Name: 1-[5-[(2-aminophenyl)thio]-3-nitro-1,2,4-triazol-1-yl]-2-propanone IUPAC Name: 1-[5-(2-aminophenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one Traditional Name: 1-[5-[(2-aminophenyl)thio]-3-nitro-1,2,4-triazol-1-yl]acetone Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC=C2N

Isomeric SMILES

CC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC=C2N

InChI

InChI=1S/C11H11N5O3S/c1-7(17)6-15-11(13-10(14-15)16(18)19)20-9-5-3-2-4-8(9)12/h2-5H,6,12H2,1H3