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

Systemtic Name: 4-[5-(2-phenoxyethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-benzyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-(2-phenoxyethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-benzyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-benzyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCOC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H20N4OS/c1-3-7-18(8-4-1)17-26-21(19-11-13-23-14-12-19)24-25-22(26)28-16-15-27-20-9-5-2-6-10-20/h1-14H,15-17H2