2-chloranylprop-2-enyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: 2-chloranylprop-2-enyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 2-chloroallyl 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzoic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzoic acid 2-chloroallyl ester Formula: C12H10ClN5O4S MolecularWeight: 355.7569

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC(=C)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC(=C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN5O4S/c1-7(13)6-22-11(19)8-3-4-10(9(5-8)18(20)21)23-12-14-15-16-17(12)2/h3-5H,1,6H2,2H3