4-tert-butyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-tert-butyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-tert-butyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-tert-butyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-21(2,3)15-7-5-14(6-8-15)19(25)22-20-23(11-12-28-4)17-10-9-16(24(26)27)13-18(17)29-20/h5-10,13H,11-12H2,1-4H3