6-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 6-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-3-pyridinecarbonitrile IUPAC Name: 6-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile Traditional Name: 6-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C13H8N6S MolecularWeight: 280.30782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C#N)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=NC=C1C#N)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C13H8N6S/c14-7-9-1-2-11(16-8-9)20-13-17-12(18-19-13)10-3-5-15-6-4-10/h1-6,8H,(H,17,18,19)