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

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

Click to see the large picture

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