N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-5-nitro-furan-2-carboxamide CAS Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-5-nitro-2-furamide Formula: C15H13N5O4S MolecularWeight: 359.35982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4S/c1-9-16-15(19-18-9)25-8-10-2-4-11(5-3-10)17-14(21)12-6-7-13(24-12)20(22)23/h2-7H,8H2,1H3,(H,17,21)(H,16,18,19)