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

Systemtic Name: O-methyl N-[[1-(4-pyrrol-1-ylphenyl)-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-(4-pyrrol-1-ylphenyl)triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[4-(1-pyrrolyl)phenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-(4-pyrrol-1-ylphenyl)triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-(4-pyrrol-1-ylphenyl)triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5OS/c1-21-15(22)16-10-12-11-20(18-17-12)14-6-4-13(5-7-14)19-8-2-3-9-19/h2-9,11H,10H2,1H3,(H,16,22)