(4-cyanophenyl)-(pyridin-3-ylmethyl)carbamothioic S-acid

Systemtic Name: (4-cyanophenyl)-(pyridin-3-ylmethyl)carbamothioic S-acid Openeye Name: (4-cyanophenyl)-(3-pyridylmethyl)carbamothioic S-acid CAS Name: (4-cyanophenyl)-(3-pyridinylmethyl)carbamothioic S-acid IUPAC Name: (4-cyanophenyl)-(pyridin-3-ylmethyl)carbamothioic S-acid Traditional Name: (4-cyanophenyl)-(3-pyridylmethyl)thiocarbamic S-acid Formula: C14H11N3OS MolecularWeight: 269.32164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3OS/c15-8-11-3-5-13(6-4-11)17(14(18)19)10-12-2-1-7-16-9-12/h1-7,9H,10H2,(H,18,19)