[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-2-phenyl-ethyl]carbamic acid

Systemtic Name: [2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-2-phenyl-ethyl]carbamic acid Openeye Name: [2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-2-phenyl-ethyl]carbamic acid CAS Name: [2-[(3-cyano-6-methyl-2-pyridinyl)thio]-2-phenylethyl]carbamic acid IUPAC Name: [2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-2-phenylethyl]carbamic acid Traditional Name: [2-[(3-cyano-6-methyl-2-pyridyl)thio]-2-phenyl-ethyl]carbamic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(CNC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC(CNC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2S/c1-11-7-8-13(9-17)15(19-11)22-14(10-18-16(20)21)12-5-3-2-4-6-12/h2-8,14,18H,10H2,1H3,(H,20,21)