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

Systemtic Name: propan-2-yl 2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)OC(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)OC(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2S/c1-4-10-20-15(11-14-8-6-5-7-9-14)18-19-17(20)23-12-16(21)22-13(2)3/h5-9,13H,4,10-12H2,1-3H3