N-(1-adamantyl)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: N-(1-adamantyl)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(1-adamantyl)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H27N5O2S/c1-13-22-23-19(25(13)21)28-12-18(26)24(11-17-3-2-4-27-17)20-8-14-5-15(9-20)7-16(6-14)10-20/h2-4,14-16H,5-12,21H2,1H3