4-(3-methylbutylsulfanyl)-3-nitro-N-prop-2-enyl-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-prop-2-enylbenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-(isoamylthio)-3-nitro-benzamide Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O3S/c1-4-8-16-15(18)12-5-6-14(13(10-12)17(19)20)21-9-7-11(2)3/h4-6,10-11H,1,7-9H2,2-3H3,(H,16,18)