N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-(3-nitrophenyl)acrylamide Formula: C13H13N5O3S MolecularWeight: 319.33902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C13H13N5O3S/c1-9-14-15-13(22-2)17(9)16-12(19)7-6-10-4-3-5-11(8-10)18(20)21/h3-8H,1-2H3,(H,16,19)