methyl 2-chloranyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate

Systemtic Name: methyl 2-chloranyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate Openeye Name: methyl 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-mesyl-benzoic acid methyl ester Formula: C14H15ClN4O4S2 MolecularWeight: 402.8763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)CSC2=NN=NN2C3CC3)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)CSC2=NN=NN2C3CC3)Cl

InChI

InChI=1S/C14H15ClN4O4S2/c1-23-13(20)9-5-6-11(25(2,21)22)10(12(9)15)7-24-14-16-17-18-19(14)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3