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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=NC=C3

InChI

InChI=1S/C18H15N5S/c1-2-10-23-17(16-6-8-20-9-7-16)21-22-18(23)24-13-15-5-3-4-14(11-15)12-19/h2-9,11H,1,10,13H2