3-[[4-chloranyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]methyl]pyridine

Systemtic Name: 3-[[4-chloranyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]methyl]pyridine Openeye Name: 3-[[4-chloro-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]methyl]pyridine CAS Name: 3-[[4-chloro-2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenoxy]methyl]pyridine IUPAC Name: 3-[[4-chloro-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]methyl]pyridine Traditional Name: 3-[[4-chloro-2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenoxy]methyl]pyridine Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=C(C=CC(=C3)Cl)OCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC3=C(C=CC(=C3)Cl)OCC4=CN=CC=C4

InChI

InChI=1S/C21H17ClN4OS/c22-18-8-9-20(27-13-16-5-4-10-23-12-16)17(11-18)14-28-21-24-15-26(25-21)19-6-2-1-3-7-19/h1-12,15H,13-14H2