2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-bromanyl-2-nitro-phenyl)furan-2-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-bromanyl-2-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-bromo-2-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(4-bromo-2-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[5-(4-bromo-2-nitro-phenyl)-2-furyl]acrylonitrile Formula: C20H10BrN3O3S2 MolecularWeight: 484.3457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=C(C=C(C=C4)Br)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=C(C=C(C=C4)Br)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H10BrN3O3S2/c21-12-5-7-15(17(9-12)24(25)26)18-8-6-13(27-18)10-14(11-22)28-20-23-16-3-1-2-4-19(16)29-20/h1-10H