5-(3,4,5-triphenylpyrazol-1-yl)pentyl 2-sulfanylidenepropanoate

Systemtic Name: 5-(3,4,5-triphenylpyrazol-1-yl)pentyl 2-sulfanylidenepropanoate Openeye Name: 5-(3,4,5-triphenylpyrazol-1-yl)pentyl 2-thioxopropanoate CAS Name: 2-sulfanylidenepropanoic acid 5-(3,4,5-triphenyl-1-pyrazolyl)pentyl ester IUPAC Name: 5-(3,4,5-triphenylpyrazol-1-yl)pentyl 2-sulfanylidenepropanoate Traditional Name: 2-thioxopropionic acid 5-(3,4,5-triphenylpyrazol-1-yl)pentyl ester Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C(=O)OCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=S)C(=O)OCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O2S/c1-22(34)29(32)33-21-13-5-12-20-31-28(25-18-10-4-11-19-25)26(23-14-6-2-7-15-23)27(30-31)24-16-8-3-9-17-24/h2-4,6-11,14-19H,5,12-13,20-21H2,1H3