3-[4-(phenylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(phenylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-benzyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(phenylmethyl)-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-benzyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-benzyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)CCSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5S/c1-3-8-18(9-4-1)17-26-20(19-10-7-11-22-16-19)23-24-21(26)27-15-14-25-12-5-2-6-13-25/h1,3-4,7-11,16H,2,5-6,12-15,17H2