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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H30N4OS/c1-14-6-4-5-7-20(14)27-16(3)25-26-22(27)29-15(2)21(28)24-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,15,17-19H,8-13H2,1-3H3,(H,24,28)