3-methylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3-methylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: 3-methylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-methylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-mesyl-benzamide Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C18H15N3O5S2/c1-3-9-20-15-8-7-13(21(23)24)11-16(15)27-18(20)19-17(22)12-5-4-6-14(10-12)28(2,25)26/h3-8,10-11H,1,9H2,2H3