2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4,5-dimethoxy-2-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4,5-dimethoxy-2-nitro-phenyl)acrylonitrile Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H13N3O4S2/c1-24-15-8-11(14(21(22)23)9-16(15)25-2)7-12(10-19)26-18-20-13-5-3-4-6-17(13)27-18/h3-9H,1-2H3