6-(3-imidazol-1-ylpropylamino)pyridine-3-carbothioamide

Systemtic Name: 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbothioamide Openeye Name: 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbothioamide CAS Name: 6-[3-(1-imidazolyl)propylamino]-3-pyridinecarbothioamide IUPAC Name: 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbothioamide Traditional Name: 6-(3-imidazol-1-ylpropylamino)thionicotinamide Formula: C12H15N5S MolecularWeight: 261.346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=S)N)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=NC=C1C(=S)N)NCCCN2C=CN=C2

InChI

InChI=1S/C12H15N5S/c13-12(18)10-2-3-11(16-8-10)15-4-1-6-17-7-5-14-9-17/h2-3,5,7-9H,1,4,6H2,(H2,13,18)(H,15,16)