2-(4-ethylsulfanylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(4-ethylsulfanylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(4-ethylsulfanylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[4-(ethylthio)phenyl]-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-ethylsulfanylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[4-(ethylthio)phenyl]-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CCSC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C20H17N3O3S2/c1-3-11-22-17-13-15(23(25)26)7-10-18(17)28-20(22)21-19(24)12-14-5-8-16(9-6-14)27-4-2/h1,5-10,13H,4,11-12H2,2H3