3-[2-(1-adamantyl)ethylsulfanyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(1-adamantyl)ethylsulfanyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(1-adamantyl)ethylsulfanyl]-4-benzyl-5-methyl-1,2,4-triazole CAS Name: 3-[2-(1-adamantyl)ethylthio]-5-methyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(1-adamantyl)ethylsulfanyl]-4-benzyl-5-methyl-1,2,4-triazole Traditional Name: 3-[2-(1-adamantyl)ethylthio]-4-benzyl-5-methyl-1,2,4-triazole Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3S/c1-16-23-24-21(25(16)15-17-5-3-2-4-6-17)26-8-7-22-12-18-9-19(13-22)11-20(10-18)14-22/h2-6,18-20H,7-15H2,1H3