S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 4-methylbenzenecarbothioate

Systemtic Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 4-methylbenzenecarbothioate Openeye Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2OS/c1-13-2-4-14(5-3-13)19(24)25-18(11-23-9-8-22-12-23)16-7-6-15(20)10-17(16)21/h2-10,12,18H,11H2,1H3