4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine

Systemtic Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Openeye Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine CAS Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]pyridine IUPAC Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Traditional Name: 4-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]pyridine Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC4=CC=NC=C4

InChI

InChI=1S/C22H20N4OS/c1-27-20-9-5-6-18(16-20)21-24-25-22(26(21)19-7-3-2-4-8-19)28-15-12-17-10-13-23-14-11-17/h2-11,13-14,16H,12,15H2,1H3