O-[[4-(3-chlorophenyl)sulfanyl-2-methyl-5-propan-2-yl-3-(pyridin-2-ylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate

Systemtic Name: O-[[4-(3-chlorophenyl)sulfanyl-2-methyl-5-propan-2-yl-3-(pyridin-2-ylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate Openeye Name: O-[[4-(3-chlorophenyl)sulfanyl-5-isopropyl-2-methyl-3-(2-pyridylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate CAS Name: carbamothioic acid O-[[4-[(3-chlorophenyl)thio]-2-methyl-5-propan-2-yl-3-(2-pyridinylmethyl)-2H-imidazol-1-yl]methyl] ester IUPAC Name: O-[[4-(3-chlorophenyl)sulfanyl-2-methyl-5-propan-2-yl-3-(pyridin-2-ylmethyl)-2H-imidazol-1-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid O-[[4-[(3-chlorophenyl)thio]-5-isopropyl-2-methyl-3-(2-pyridylmethyl)-4-imidazolin-1-yl]methyl] ester Formula: C21H25ClN4OS2 MolecularWeight: 449.0324

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=C(N1COC(=S)N)C(C)C)SC2=CC(=CC=C2)Cl)CC3=CC=CC=N3

Isomeric SMILES

CC1N(C(=C(N1COC(=S)N)C(C)C)SC2=CC(=CC=C2)Cl)CC3=CC=CC=N3

InChI

InChI=1S/C21H25ClN4OS2/c1-14(2)19-20(29-18-9-6-7-16(22)11-18)25(12-17-8-4-5-10-24-17)15(3)26(19)13-27-21(23)28/h4-11,14-15H,12-13H2,1-3H3,(H2,23,28)