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

Systemtic Name: 2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C16H16N6O4S MolecularWeight: 388.40104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4S/c1-9-5-6-11(8-12(9)22(24)25)18-15(23)10(2)27-16-20-19-14(21(16)17)13-4-3-7-26-13/h3-8,10H,17H2,1-2H3,(H,18,23)