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

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)prop-2-enamide Openeye Name: 3-(4-chloro-3-nitro-phenyl)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)prop-2-enamide CAS Name: 3-(4-chloro-3-nitrophenyl)-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-2-propenamide IUPAC Name: 3-(4-chloro-3-nitrophenyl)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)prop-2-enamide Traditional Name: 3-(4-chloro-3-nitro-phenyl)-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]acrylamide Formula: C13H12ClN5O3S MolecularWeight: 353.78408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5O3S/c1-8-15-16-13(23-2)18(8)17-12(20)6-4-9-3-5-10(14)11(7-9)19(21)22/h3-7H,1-2H3,(H,17,20)