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

Systemtic Name: propyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate Openeye Name: propyl 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzoic acid propyl ester IUPAC Name: propyl 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzoic acid propyl ester Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C=C1)SC2=NN=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-3-6-21-11(18)8-4-5-10(9(7-8)17(19)20)22-12-13-14-15-16(12)2/h4-5,7H,3,6H2,1-2H3