S-methyl 3-azanyl-4-(4-cyanopyridin-3-yl)benzenecarbothioate

Systemtic Name: S-methyl 3-azanyl-4-(4-cyanopyridin-3-yl)benzenecarbothioate Openeye Name: S-methyl 3-amino-4-(4-cyano-3-pyridyl)benzenecarbothioate CAS Name: 3-amino-4-(4-cyano-3-pyridinyl)benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-amino-4-(4-cyanopyridin-3-yl)benzenecarbothioate Traditional Name: 3-amino-4-(4-cyano-3-pyridyl)thiobenzoic acid S-methyl ester Formula: C14H11N3OS MolecularWeight: 269.32164

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C1=CC(=C(C=C1)C2=C(C=CN=C2)C#N)N

Isomeric SMILES

CSC(=O)C1=CC(=C(C=C1)C2=C(C=CN=C2)C#N)N

InChI

InChI=1S/C14H11N3OS/c1-19-14(18)9-2-3-11(13(16)6-9)12-8-17-5-4-10(12)7-15/h2-6,8H,16H2,1H3