6-[(phenylmethyl)amino]pyridine-3-carbothioamide

Systemtic Name: 6-[(phenylmethyl)amino]pyridine-3-carbothioamide Openeye Name: 6-(benzylamino)pyridine-3-carbothioamide CAS Name: 6-[(phenylmethyl)amino]-3-pyridinecarbothioamide IUPAC Name: 6-(benzylamino)pyridine-3-carbothioamide Traditional Name: 6-(benzylamino)thionicotinamide Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C=C2)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H13N3S/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16)