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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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