S-[(5-azanyl-2,6-dicyano-pyridin-3-yl)methyl] N-(4-methylphenyl)carbamothioate

Systemtic Name: S-[(5-azanyl-2,6-dicyano-pyridin-3-yl)methyl] N-(4-methylphenyl)carbamothioate Openeye Name: S-[(5-amino-2,6-dicyano-3-pyridyl)methyl] N-(p-tolyl)carbamothioate CAS Name: N-(4-methylphenyl)carbamothioic acid S-[(5-amino-2,6-dicyano-3-pyridinyl)methyl] ester IUPAC Name: S-[(5-amino-2,6-dicyanopyridin-3-yl)methyl] N-(4-methylphenyl)carbamothioate Traditional Name: N-(p-tolyl)thiocarbamic acid S-[(5-amino-2,6-dicyano-3-pyridyl)methyl] ester Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)SCC2=CC(=C(N=C2C#N)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)SCC2=CC(=C(N=C2C#N)C#N)N

InChI

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