3-(3-chlorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-chlorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-chlorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-chlorophenyl)-5-[(2-phenoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-chlorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-chlorophenyl)-5-[(2-phenoxybenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2CSC3=NN=C(N3N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4OS/c22-17-9-6-8-15(13-17)20-24-25-21(26(20)23)28-14-16-7-4-5-12-19(16)27-18-10-2-1-3-11-18/h1-13H,14,23H2