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

Systemtic Name: 3-(1-adamantylmethyl)-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-methyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-4-methyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-methyl-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3S/c1-15-4-3-5-16(6-15)14-26-21-24-23-20(25(21)2)13-22-10-17-7-18(11-22)9-19(8-17)12-22/h3-6,17-19H,7-14H2,1-2H3