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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylonitrile Formula: C17H11N3O4S2 MolecularWeight: 385.41694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H11N3O4S2/c1-24-14-8-10(7-13(16(14)21)20(22)23)6-11(9-18)25-17-19-12-4-2-3-5-15(12)26-17/h2-8,21H,1H3