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

Systemtic Name: 3-(1-adamantylmethyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-allyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-[(3,4-dichlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-allyl-5-[(3,4-dichlorobenzyl)thio]-1,2,4-triazole Formula: C23H27Cl2N3S MolecularWeight: 448.45158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27Cl2N3S/c1-2-5-28-21(13-23-10-16-6-17(11-23)8-18(7-16)12-23)26-27-22(28)29-14-15-3-4-19(24)20(25)9-15/h2-4,9,16-18H,1,5-8,10-14H2