3-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-chlorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-chlorobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C22H18ClN3S MolecularWeight: 391.91642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3S/c23-20-13-11-18(12-14-20)16-27-22-25-24-21(19-9-5-2-6-10-19)26(22)15-17-7-3-1-4-8-17/h1-14H,15-16H2