propan-2-yl 4-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid isopropyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S2/c1-4-14-26-21(16-32(28,29)20-8-6-5-7-9-20)24-25-23(26)31-15-18-10-12-19(13-11-18)22(27)30-17(2)3/h4-13,17H,1,14-16H2,2-3H3