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

Systemtic Name: 2-[4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-cyclopropyl-5-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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