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

Systemtic Name: O-methyl N-[[1-[4-(3-cyanopyrrol-1-yl)phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-[4-(3-cyanopyrrol-1-yl)phenyl]triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[4-(3-cyano-1-pyrrolyl)phenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-[4-(3-cyanopyrrol-1-yl)phenyl]triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-[4-(3-cyanopyrrol-1-yl)phenyl]triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C16H14N6OS MolecularWeight: 338.38696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NCC1=CN(N=N1)C2=CC=C(C=C2)N3C=CC(=C3)C#N

Isomeric SMILES

COC(=S)NCC1=CN(N=N1)C2=CC=C(C=C2)N3C=CC(=C3)C#N

InChI

InChI=1S/C16H14N6OS/c1-23-16(24)18-9-13-11-22(20-19-13)15-4-2-14(3-5-15)21-7-6-12(8-17)10-21/h2-7,10-11H,9H2,1H3,(H,18,24)