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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3-nitro-phenyl)acrylonitrile Formula: C16H9N3O3S2 MolecularWeight: 355.39096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9N3O3S2/c17-9-11(7-10-5-6-14(20)13(8-10)19(21)22)23-16-18-12-3-1-2-4-15(12)24-16/h1-8,20H