N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-methyl-benzamide

Systemtic Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-methyl-benzamide Openeye Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]-4-methyl-benzamide CAS Name: N-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]-4-methylbenzamide IUPAC Name: N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]-4-methylbenzamide Traditional Name: N-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]-4-methyl-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-12-2-5-14(6-3-12)17(22)19-18-11-13-4-7-16(25-9-8-21)15(10-13)20(23)24/h2-7,10-11,21H,8-9H2,1H3,(H,19,22)/b18-11+