4-ethylsulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-ethylsulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-ethylsulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(ethylthio)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-ethylsulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(ethylthio)-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C19H15N3O3S2 MolecularWeight: 397.4707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O3S2/c1-3-11-21-16-10-7-14(22(24)25)12-17(16)27-19(21)20-18(23)13-5-8-15(9-6-13)26-4-2/h1,5-10,12H,4,11H2,2H3