2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-bromanyl-4-nitro-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-bromanyl-4-nitro-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-bromo-4-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2-bromo-4-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-bromo-4-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2-bromo-4-nitro-phenyl)acrylonitrile Formula: C16H8BrN3O2S2 MolecularWeight: 418.28762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H8BrN3O2S2/c17-13-8-11(20(21)22)6-5-10(13)7-12(9-18)23-16-19-14-3-1-2-4-15(14)24-16/h1-8H