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

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]prop-2-enamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: 3-(4-chloro-3-nitrophenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-propenamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C19H16ClN5O3S MolecularWeight: 429.88004

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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-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C19H16ClN5O3S/c1-13-21-22-19(29-12-15-5-3-2-4-6-15)24(13)23-18(26)10-8-14-7-9-16(20)17(11-14)25(27)28/h2-11H,12H2,1H3,(H,23,26)