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

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(3-nitrophenyl)acrylamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O3S/c1-14-20-21-19(28-13-16-6-3-2-4-7-16)23(14)22-18(25)11-10-15-8-5-9-17(12-15)24(26)27/h2-12H,13H2,1H3,(H,22,25)