6-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 6-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 6-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SC3=NC=C(C=C3)C#N)N4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SC3=NC=C(C=C3)C#N)N4CCCCC4

InChI

InChI=1S/C21H22N6S/c1-16(26-12-6-3-7-13-26)20-24-25-21(27(20)18-8-4-2-5-9-18)28-19-11-10-17(14-22)15-23-19/h2,4-5,8-11,15-16H,3,6-7,12-13H2,1H3