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

Systemtic Name: 3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H15N5S MolecularWeight: 333.4102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5S/c19-11-13-2-1-3-14(10-13)12-24-18-22-21-17(23(18)16-4-5-16)15-6-8-20-9-7-15/h1-3,6-10,16H,4-5,12H2