2-[4-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C24H19N5S MolecularWeight: 409.50616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CC=NC=C5

InChI

InChI=1S/C24H19N5S/c25-15-20-3-1-2-4-22(20)18-7-5-17(6-8-18)16-30-24-28-27-23(29(24)21-9-10-21)19-11-13-26-14-12-19/h1-8,11-14,21H,9-10,16H2