3-[5-[(2-chlorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(2-chlorophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(2-chlorobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]pyridine Formula: C22H19ClN4S MolecularWeight: 406.93106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CN=CC=C4

InChI

InChI=1S/C22H19ClN4S/c23-20-11-5-4-9-19(20)16-28-22-26-25-21(18-10-6-13-24-15-18)27(22)14-12-17-7-2-1-3-8-17/h1-11,13,15H,12,14,16H2