3-[(2-chlorophenyl)methylsulfanyl]-5-(4-pentylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-pentylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-pentylphenyl)-1H-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(4-pentylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-pentylphenyl)-1H-1,2,4-triazole Traditional Name: 5-(4-amylphenyl)-3-[(2-chlorobenzyl)thio]-1H-1,2,4-triazole Formula: C20H22ClN3S MolecularWeight: 371.92678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3S/c1-2-3-4-7-15-10-12-16(13-11-15)19-22-20(24-23-19)25-14-17-8-5-6-9-18(17)21/h5-6,8-13H,2-4,7,14H2,1H3,(H,22,23,24)