2-chloranylprop-2-enyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: 2-chloranylprop-2-enyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 2-chloroallyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid 2-chloroallyl ester Formula: C13H11ClN4O4S MolecularWeight: 354.76884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O4S/c1-8(14)6-22-12(19)9-3-4-11(10(5-9)18(20)21)23-13-16-15-7-17(13)2/h3-5,7H,1,6H2,2H3