propan-2-yl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)OC(C)C

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)OC(C)C

InChI

InChI=1S/C11H17N3O2S/c1-5-6-14-9(4)12-13-11(14)17-7-10(15)16-8(2)3/h5,8H,1,6-7H2,2-4H3