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

Systemtic Name: N-(1-adamantyl)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: N-(1-adamantyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(1-adamantyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)N(CC3=CC=CO3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)N(CC3=CC=CO3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H29N5O2S/c23-27-20(17-3-4-17)24-25-21(27)30-13-19(28)26(12-18-2-1-5-29-18)22-9-14-6-15(10-22)8-16(7-14)11-22/h1-2,5,14-17H,3-4,6-13,23H2