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

Systemtic Name: 3-(1-adamantylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-allyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-[(3-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-allyl-5-(m-anisylthio)-1,2,4-triazole Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3OS/c1-3-7-27-22(15-24-12-18-8-19(13-24)10-20(9-18)14-24)25-26-23(27)29-16-17-5-4-6-21(11-17)28-2/h3-6,11,18-20H,1,7-10,12-16H2,2H3