2-[4-[4-(4-dimethylaminophenyl)-1,2,3-triazol-1-yl]phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-[4-(4-dimethylaminophenyl)-1,2,3-triazol-1-yl]phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-[4-(4-dimethylaminophenyl)triazol-1-yl]phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[4-(4-dimethylaminophenyl)-1-triazolyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[4-(4-dimethylaminophenyl)triazol-1-yl]phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-[4-(4-dimethylaminophenyl)triazol-1-yl]phenoxy]ethyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)N3C=C(N=N3)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)N3C=C(N=N3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H26N4O4S/c1-19-4-14-24(15-5-19)34(30,31)33-17-16-32-23-12-10-22(11-13-23)29-18-25(26-27-29)20-6-8-21(9-7-20)28(2)3/h4-15,18H,16-17H2,1-3H3