N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-pyridine-3-carbothioamide hydrochloride

Systemtic Name: N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-pyridine-3-carbothioamide hydrochloride Openeye Name: N-[2-(2-pyridyl)ethyl]-2-thioxo-1H-pyridine-3-carbothioamide hydrochloride CAS Name: N-[2-(2-pyridinyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carbothioamide hydrochloride IUPAC Name: N-(2-pyridin-2-ylethyl)-2-sulfanylidene-1H-pyridine-3-carbothioamide hydrochloride Traditional Name: N-[2-(2-pyridyl)ethyl]-2-thioxo-1H-pyridine-3-carbothioamide hydrochloride Formula: C13H14ClN3S2 MolecularWeight: 311.85336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC(=S)C2=CC=CNC2=S.Cl

Isomeric SMILES

C1=CC=NC(=C1)CCNC(=S)C2=CC=CNC2=S.Cl

InChI

InChI=1S/C13H13N3S2.ClH/c17-12-11(5-3-8-15-12)13(18)16-9-6-10-4-1-2-7-14-10;/h1-5,7-8H,6,9H2,(H,15,17)(H,16,18);1H