propan-2-yl 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-15(2)25-18(24)14-26-20-22-21-19(17-11-7-4-8-12-17)23(20)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3