2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC#N)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC#N)C3=CN=CC=C3

InChI

InChI=1S/C17H15N5S/c18-9-12-23-17-21-20-16(15-7-4-10-19-13-15)22(17)11-8-14-5-2-1-3-6-14/h1-7,10,13H,8,11-12H2