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

Systemtic Name: 3-[4-(phenylmethyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-benzyl-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(phenylmethyl)-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-benzyl-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-benzyl-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-3-yl]pyridine Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCC3=CC=NC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC3=CC=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H19N5S/c1-2-5-18(6-3-1)16-26-20(19-7-4-11-23-15-19)24-25-21(26)27-14-10-17-8-12-22-13-9-17/h1-9,11-13,15H,10,14,16H2