N-(1-adamantylmethyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4OS/c1-15-5-3-4-6-19(15)21-25-26-22(27(21)2)29-13-20(28)24-14-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-14H2,1-2H3,(H,24,28)