O-propan-2-yl N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]carbamothioate

Systemtic Name: O-propan-2-yl N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]carbamothioate Openeye Name: O-isopropyl N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]carbamothioate CAS Name: N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]carbamothioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]carbamothioate Traditional Name: N-[1-(4-chlorobenzyl)-1,2,4-triazol-3-yl]thiocarbamic acid O-isopropyl ester Formula: C13H15ClN4OS MolecularWeight: 310.8024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)NC1=NN(C=N1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)OC(=S)NC1=NN(C=N1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN4OS/c1-9(2)19-13(20)16-12-15-8-18(17-12)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,20)