3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline

Systemtic Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline Openeye Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline CAS Name: 3-[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]aniline IUPAC Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]aniline Traditional Name: [3-[5-[(4-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C21H17ClN4S MolecularWeight: 392.90448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)N

InChI

InChI=1S/C21H17ClN4S/c22-17-11-9-15(10-12-17)14-27-21-25-24-20(16-5-4-6-18(23)13-16)26(21)19-7-2-1-3-8-19/h1-13H,14,23H2