4-methylsulfanyl-3-nitro-N-prop-2-ynyl-benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-prop-2-ynyl-benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-prop-2-ynyl-benzamide CAS Name: 4-(methylthio)-3-nitro-N-prop-2-ynylbenzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-prop-2-ynylbenzamide Traditional Name: 4-(methylthio)-3-nitro-N-propargyl-benzamide Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O3S/c1-3-6-12-11(14)8-4-5-10(17-2)9(7-8)13(15)16/h1,4-5,7H,6H2,2H3,(H,12,14)