4-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C18H17N5S MolecularWeight: 335.42608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC#N)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC#N)C3=CC=NC=C3

InChI

InChI=1S/C18H17N5S/c19-10-4-5-13-24-18-22-21-17(16-8-11-20-12-9-16)23(18)14-15-6-2-1-3-7-15/h1-3,6-9,11-12H,4-5,13-14H2