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

Systemtic Name: 3-(1-adamantylmethyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C24H31N3S MolecularWeight: 393.58804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3S/c1-3-7-27-22(15-24-12-19-9-20(13-24)11-21(10-19)14-24)25-26-23(27)28-16-18-6-4-5-17(2)8-18/h3-6,8,19-21H,1,7,9-16H2,2H3