5-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-chloranyl-pyridine

Systemtic Name: 5-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-chloranyl-pyridine Openeye Name: 5-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-chloro-pyridine CAS Name: 5-[[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-chloropyridine IUPAC Name: 5-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-chloropyridine Traditional Name: 5-[[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-2-chloro-pyridine Formula: C22H19ClN4S MolecularWeight: 406.93106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4S/c1-15-3-8-18(9-4-15)21-25-26-22(27(21)19-10-5-16(2)6-11-19)28-14-17-7-12-20(23)24-13-17/h3-13H,14H2,1-2H3