4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzonitrile CAS Name: 4-[mercapto-(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]benzonitrile IUPAC Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-sulfanylmethyl]benzonitrile Traditional Name: 4-[mercapto-[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]methyl]benzonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)C3=CC=NC=C3

InChI

InChI=1S/C16H13N5S/c1-21-15(13-6-8-18-9-7-13)19-20-16(21)14(22)12-4-2-11(10-17)3-5-12/h2-9,14,22H,1H3