3-(1-adamantylmethyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1-adamantylmethyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-allyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-[(3-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-allyl-5-[(3-chlorobenzyl)thio]-1,2,4-triazole Formula: C23H28ClN3S MolecularWeight: 414.00652

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28ClN3S/c1-2-6-27-21(14-23-11-17-7-18(12-23)9-19(8-17)13-23)25-26-22(27)28-15-16-4-3-5-20(24)10-16/h2-5,10,17-19H,1,6-9,11-15H2