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

Systemtic Name: 6-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 6-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 6-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SC4=NC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SC4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H22N6S/c22-13-18-9-10-20(23-14-18)28-21-25-24-19(16-26-11-5-2-6-12-26)27(21)15-17-7-3-1-4-8-17/h1,3-4,7-10,14H,2,5-6,11-12,15-16H2