S-ethyl N-[3-[(4-cyanophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]carbamothioate

Systemtic Name: S-ethyl N-[3-[(4-cyanophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]carbamothioate Openeye Name: S-ethyl N-[3-[(4-cyanophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]carbamothioate CAS Name: N-[3-[(4-cyanophenyl)methylthio]-1H-1,2,4-triazol-5-yl]carbamothioic acid S-ethyl ester IUPAC Name: S-ethyl N-[3-[(4-cyanophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]carbamothioate Traditional Name: N-[3-[(4-cyanobenzyl)thio]-1H-1,2,4-triazol-5-yl]thiocarbamic acid S-ethyl ester Formula: C13H13N5OS2 MolecularWeight: 319.40522

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)NC1=NC(=NN1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCSC(=O)NC1=NC(=NN1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H13N5OS2/c1-2-20-13(19)16-11-15-12(18-17-11)21-8-10-5-3-9(7-14)4-6-10/h3-6H,2,8H2,1H3,(H2,15,16,17,18,19)