2-(3-imidazol-1-ylpropylamino)pyridine-3-carbothioamide

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)pyridine-3-carbothioamide Openeye Name: 2-(3-imidazol-1-ylpropylamino)pyridine-3-carbothioamide CAS Name: 2-[3-(1-imidazolyl)propylamino]-3-pyridinecarbothioamide IUPAC Name: 2-(3-imidazol-1-ylpropylamino)pyridine-3-carbothioamide Traditional Name: 2-(3-imidazol-1-ylpropylamino)thionicotinamide Formula: C12H15N5S MolecularWeight: 261.346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCCCN2C=CN=C2)C(=S)N

Isomeric SMILES

C1=CC(=C(N=C1)NCCCN2C=CN=C2)C(=S)N

InChI

InChI=1S/C12H15N5S/c13-11(18)10-3-1-4-15-12(10)16-5-2-7-17-8-6-14-9-17/h1,3-4,6,8-9H,2,5,7H2,(H2,13,18)(H,15,16)