3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(5-phenylpentylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(5-phenylpentylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(5-phenylpentylsulfanyl)-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(5-phenylpentylthio)-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(5-phenylpentylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-(5-phenylpentylthio)-1,2,4-triazole Formula: C26H26ClN3OS MolecularWeight: 464.02214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCCCCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCCCCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H26ClN3OS/c1-31-24-17-8-7-16-23(24)30-25(21-14-10-15-22(27)19-21)28-29-26(30)32-18-9-3-6-13-20-11-4-2-5-12-20/h2,4-5,7-8,10-12,14-17,19H,3,6,9,13,18H2,1H3