3-(1-adamantylmethylsulfanyl)-5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(1-adamantylmethylsulfanyl)-5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-(1-adamantylmethylsulfanyl)-4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole CAS Name: 3-(1-adamantylmethylthio)-5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethylsulfanyl)-4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole Traditional Name: 3-(1-adamantylmethylthio)-4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole Formula: C26H28ClN3S MolecularWeight: 450.03862

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CSC4=NN=C(N4CC5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CSC4=NN=C(N4CC5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C26H28ClN3S/c27-23-8-6-22(7-9-23)24-28-29-25(30(24)16-18-4-2-1-3-5-18)31-17-26-13-19-10-20(14-26)12-21(11-19)15-26/h1-9,19-21H,10-17H2