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

Systemtic Name: N-(1-adamantyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(1-adamantyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(1-adamantyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(1-adamantyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(1-adamantyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4OS/c1-14-2-4-18(5-3-14)20-24-25-21(28)26(20)7-6-19(27)23-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17H,6-13H2,1H3,(H,23,27)(H,25,28)