N-(1-adamantylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-(1-adamantylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(1-adamantylmethyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(1-adamantylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(1-adamantylmethyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(1-adamantylmethyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCN4C(=NNC4=S)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCN4C(=NNC4=S)C5=CC=CS5

InChI

InChI=1S/C20H26N4OS2/c25-17(3-4-24-18(22-23-19(24)26)16-2-1-5-27-16)21-12-20-9-13-6-14(10-20)8-15(7-13)11-20/h1-2,5,13-15H,3-4,6-12H2,(H,21,25)(H,23,26)