3-(1-adamantylmethylsulfanyl)-5-methyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(1-adamantylmethylsulfanyl)-5-methyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-(1-adamantylmethylsulfanyl)-4-benzyl-5-methyl-1,2,4-triazole CAS Name: 3-(1-adamantylmethylthio)-5-methyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethylsulfanyl)-4-benzyl-5-methyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethylthio)-4-benzyl-5-methyl-1,2,4-triazole Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3S/c1-15-22-23-20(24(15)13-16-5-3-2-4-6-16)25-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h2-6,17-19H,7-14H2,1H3