S-[(5-azanyl-2-cyano-6-methyl-pyridin-3-yl)methyl] N-(4-cyanophenyl)carbamothioate

Systemtic Name: S-[(5-azanyl-2-cyano-6-methyl-pyridin-3-yl)methyl] N-(4-cyanophenyl)carbamothioate Openeye Name: S-[(5-amino-2-cyano-6-methyl-3-pyridyl)methyl] N-(4-cyanophenyl)carbamothioate CAS Name: N-(4-cyanophenyl)carbamothioic acid S-[(5-amino-2-cyano-6-methyl-3-pyridinyl)methyl] ester IUPAC Name: S-[(5-amino-2-cyano-6-methylpyridin-3-yl)methyl] N-(4-cyanophenyl)carbamothioate Traditional Name: N-(4-cyanophenyl)thiocarbamic acid S-[(5-amino-2-cyano-6-methyl-3-pyridyl)methyl] ester Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)C#N)CSC(=O)NC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CC1=C(C=C(C(=N1)C#N)CSC(=O)NC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C16H13N5OS/c1-10-14(19)6-12(15(8-18)20-10)9-23-16(22)21-13-4-2-11(7-17)3-5-13/h2-6H,9,19H2,1H3,(H,21,22)