S-[3-(5-methyl-4-phenyl-imidazol-1-yl)propyl] benzenecarbothioate

Systemtic Name: S-[3-(5-methyl-4-phenyl-imidazol-1-yl)propyl] benzenecarbothioate Openeye Name: S-[3-(5-methyl-4-phenyl-imidazol-1-yl)propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-(5-methyl-4-phenyl-1-imidazolyl)propyl] ester IUPAC Name: S-[3-(5-methyl-4-phenylimidazol-1-yl)propyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-(5-methyl-4-phenyl-imidazol-1-yl)propyl] ester Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CCCSC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1CCCSC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2OS/c1-16-19(17-9-4-2-5-10-17)21-15-22(16)13-8-14-24-20(23)18-11-6-3-7-12-18/h2-7,9-12,15H,8,13-14H2,1H3