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

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)propionamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3CCCCC3)C4=CC=CO4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3CCCCC3)C4=CC=CO4

InChI

InChI=1S/C21H23N5O4S/c1-14(20(27)22-15-7-5-10-17(13-15)26(28)29)31-21-24-23-19(18-11-6-12-30-18)25(21)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3,(H,22,27)