N-[4-(1-adamantyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

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