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

Systemtic Name: propan-2-yl 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2S/c1-4-10-19-15(13-8-6-5-7-9-13)17-18-16(19)22-11-14(20)21-12(2)3/h4-9,12H,1,10-11H2,2-3H3