4-nitro-2-(phenylmethylsulfanyl)-N-prop-2-enyl-benzamide

Systemtic Name: 4-nitro-2-(phenylmethylsulfanyl)-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-benzylsulfanyl-4-nitro-benzamide CAS Name: 4-nitro-2-(phenylmethylthio)-N-prop-2-enylbenzamide IUPAC Name: 2-benzylsulfanyl-4-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-(benzylthio)-4-nitro-benzamide Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O3S/c1-2-10-18-17(20)15-9-8-14(19(21)22)11-16(15)23-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12H2,(H,18,20)