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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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