propan-2-yl 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C15H19N3O3S/c1-11(2)21-13(19)10-22-15-17-16-14(20)18(15)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,20)