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

Systemtic Name: 3-[4-[4-(4-dimethylaminophenyl)-1,2,3-triazol-1-yl]phenoxy]propyl 4-methylbenzenesulfonate Openeye Name: 3-[4-[4-(4-dimethylaminophenyl)triazol-1-yl]phenoxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[4-[4-(4-dimethylaminophenyl)-1-triazolyl]phenoxy]propyl ester IUPAC Name: 3-[4-[4-(4-dimethylaminophenyl)triazol-1-yl]phenoxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[4-[4-(4-dimethylaminophenyl)triazol-1-yl]phenoxy]propyl ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=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)OCCCOC2=CC=C(C=C2)N3C=C(N=N3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H28N4O4S/c1-20-5-15-25(16-6-20)35(31,32)34-18-4-17-33-24-13-11-23(12-14-24)30-19-26(27-28-30)21-7-9-22(10-8-21)29(2)3/h5-16,19H,4,17-18H2,1-3H3