4-methylsulfanyl-3-nitro-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-(4-pyridylmethyl)benzamide CAS Name: 4-(methylthio)-3-nitro-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-(methylthio)-3-nitro-N-(4-pyridylmethyl)benzamide Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3S/c1-21-13-3-2-11(8-12(13)17(19)20)14(18)16-9-10-4-6-15-7-5-10/h2-8H,9H2,1H3,(H,16,18)