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

Systemtic Name: 2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[[4-allyl-5-[2-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 2-[[5-[2-(1-piperidinyl)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[[5-(2-piperidin-1-ylethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[4-allyl-5-(2-piperidinoethyl)-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C18H22N6S MolecularWeight: 354.47248

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=CC=N2)C#N)CCN3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=CC=N2)C#N)CCN3CCCCC3

InChI

InChI=1S/C18H22N6S/c1-2-10-24-16(8-13-23-11-4-3-5-12-23)21-22-18(24)25-17-15(14-19)7-6-9-20-17/h2,6-7,9H,1,3-5,8,10-13H2