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

Systemtic Name: 4-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H25N5S MolecularWeight: 355.5003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCCCC#N)N3CCCCC3

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SCCCC#N)N3CCCCC3

InChI

InChI=1S/C19H25N5S/c1-16(23-13-7-3-8-14-23)18-21-22-19(25-15-9-6-12-20)24(18)17-10-4-2-5-11-17/h2,4-5,10-11,16H,3,6-9,13-15H2,1H3