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

Systemtic Name: 3-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-methyl-benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CO4

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CO4

InChI

InChI=1S/C22H25N5O3S/c1-23-21(29)15-7-5-8-16(13-15)24-19(28)14-31-22-26-25-20(18-11-6-12-30-18)27(22)17-9-3-2-4-10-17/h5-8,11-13,17H,2-4,9-10,14H2,1H3,(H,23,29)(H,24,28)