2-(1,2,4-triazol-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(1,2,4-triazol-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1,2,4-triazol-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1,2,4-triazol-1-yl)ethyl ester IUPAC Name: 2-(1,2,4-triazol-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1,2,4-triazol-1-yl)ethyl ester Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC=N2

InChI

InChI=1S/C11H13N3O3S/c1-10-2-4-11(5-3-10)18(15,16)17-7-6-14-9-12-8-13-14/h2-5,8-9H,6-7H2,1H3