2-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-benzylsulfanyltetrazol-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[5-(phenylmethylthio)-1-tetrazolyl]ethyl ester IUPAC Name: 2-(5-benzylsulfanyltetrazol-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[5-(benzylthio)tetrazol-1-yl]ethyl ester Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=NN=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=NN=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3S2/c1-14-7-9-16(10-8-14)26(22,23)24-12-11-21-17(18-19-20-21)25-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3