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

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-5-(2-nitrophenyl)-2-furamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4S/c1-14-22-23-21(31-13-15-7-3-2-4-8-15)25(14)24-20(27)19-12-11-18(30-19)16-9-5-6-10-17(16)26(28)29/h2-12H,13H2,1H3,(H,24,27)