2-[5-chloranyl-3-phenyl-4-[[2-(quinolin-3-ylcarbamoyl)phenyl]sulfanylmethyl]pyrazol-1-yl]ethyl ethanoate

Systemtic Name: 2-[5-chloranyl-3-phenyl-4-[[2-(quinolin-3-ylcarbamoyl)phenyl]sulfanylmethyl]pyrazol-1-yl]ethyl ethanoate Openeye Name: 2-[5-chloro-3-phenyl-4-[[2-(3-quinolylcarbamoyl)phenyl]sulfanylmethyl]pyrazol-1-yl]ethyl acetate CAS Name: acetic acid 2-[5-chloro-4-[[[2-[oxo-(3-quinolinylamino)methyl]phenyl]thio]methyl]-3-phenyl-1-pyrazolyl]ethyl ester IUPAC Name: 2-[5-chloro-3-phenyl-4-[[2-(quinolin-3-ylcarbamoyl)phenyl]sulfanylmethyl]pyrazol-1-yl]ethyl acetate Traditional Name: acetic acid 2-[5-chloro-3-phenyl-4-[[[2-(3-quinolylcarbamoyl)phenyl]thio]methyl]pyrazol-1-yl]ethyl ester Formula: C30H25ClN4O3S MolecularWeight: 557.0625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)Cl

Isomeric SMILES

CC(=O)OCCN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5N=C4)Cl

InChI

InChI=1S/C30H25ClN4O3S/c1-20(36)38-16-15-35-29(31)25(28(34-35)21-9-3-2-4-10-21)19-39-27-14-8-6-12-24(27)30(37)33-23-17-22-11-5-7-13-26(22)32-18-23/h2-14,17-18H,15-16,19H2,1H3,(H,33,37)