3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C22H17Cl2N3OS MolecularWeight: 442.36088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H17Cl2N3OS/c1-28-18-10-8-16(9-11-18)21-25-26-22(27(21)17-5-3-2-4-6-17)29-14-15-7-12-19(23)20(24)13-15/h2-13H,14H2,1H3