S-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)] N-[(4-chlorophenyl)methyl]carbamothioate

Systemtic Name: S-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)] N-[(4-chlorophenyl)methyl]carbamothioate Openeye Name: S-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]] N-[(4-chlorophenyl)methyl]carbamothioate CAS Name: N-[(4-chlorophenyl)methyl]carbamothioic acid S-[[4-ethyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]] ester IUPAC Name: S-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)] N-[(4-chlorophenyl)methyl]carbamothioate Traditional Name: N-(4-chlorobenzyl)thiocarbamic acid S-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]] ester Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C17H16ClN5OS/c1-2-23-15(14-5-3-4-10-19-14)21-22-16(23)25-17(24)20-11-12-6-8-13(18)9-7-12/h3-10H,2,11H2,1H3,(H,20,24)