(E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-5-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-5-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-5-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chloro-5-nitro-phenyl)acrylonitrile Formula: C16H8ClN3O2S MolecularWeight: 341.77162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/C#N

InChI

InChI=1S/C16H8ClN3O2S/c17-13-6-5-12(20(21)22)8-10(13)7-11(9-18)16-19-14-3-1-2-4-15(14)23-16/h1-8H/b11-7+