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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=NC=C3

InChI

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