3-[5-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2-chloro-4-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-chloro-4-nitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(2-chloro-4-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-chloro-4-nitro-phenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C12H12ClN5O3S MolecularWeight: 341.77338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CCC(=O)N

InChI

InChI=1S/C12H12ClN5O3S/c1-17-11(5-4-10(14)19)15-16-12(17)22-9-3-2-7(18(20)21)6-8(9)13/h2-3,6H,4-5H2,1H3,(H2,14,19)