2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(2-furfurylcarbamoyl)acetamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)CC4=CC=CS4

InChI

InChI=1S/C21H25N5O3S2/c27-19(23-20(28)22-13-16-8-4-10-29-16)14-31-21-25-24-18(12-17-9-5-11-30-17)26(21)15-6-2-1-3-7-15/h4-5,8-11,15H,1-3,6-7,12-14H2,(H2,22,23,27,28)