N-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide

Systemtic Name: N-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H22N4O3S/c26-18(22-20(27)15-8-3-1-4-9-15)14-29-21-24-23-19(17-12-7-13-28-17)25(21)16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H,22,26,27)