[4-(5-prop-2-enylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyl-2,2-dimethyl-propanoate

Systemtic Name: [4-(5-prop-2-enylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyl-2,2-dimethyl-propanoate Openeye Name: [4-(5-allylsulfanyltetrazol-1-yl)phenyl] 3-chloro-2,2-dimethyl-propanoate CAS Name: 3-chloro-2,2-dimethylpropanoic acid [4-[5-(prop-2-enylthio)-1-tetrazolyl]phenyl] ester IUPAC Name: [4-(5-prop-2-enylsulfanyltetrazol-1-yl)phenyl] 3-chloro-2,2-dimethylpropanoate Traditional Name: 3-chloro-2,2-dimethyl-propionic acid [4-[5-(allylthio)tetrazol-1-yl]phenyl] ester Formula: C15H17ClN4O2S MolecularWeight: 352.83908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)OC1=CC=C(C=C1)N2C(=NN=N2)SCC=C

Isomeric SMILES

CC(C)(CCl)C(=O)OC1=CC=C(C=C1)N2C(=NN=N2)SCC=C

InChI

InChI=1S/C15H17ClN4O2S/c1-4-9-23-14-17-18-19-20(14)11-5-7-12(8-6-11)22-13(21)15(2,3)10-16/h4-8H,1,9-10H2,2-3H3