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

Systemtic Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=CO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3=CC=CO3

InChI

InChI=1S/C16H15N5O4S/c1-10(15(22)17-11-5-7-12(8-6-11)21(23)24)26-16-19-18-14(20(16)2)13-4-3-9-25-13/h3-10H,1-2H3,(H,17,22)