2-(1,3-benzothiazol-2-ylsulfanyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H9N3O4S2 MolecularWeight: 383.40106

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H9N3O4S2/c18-8-11(25-17-19-12-3-1-2-4-16(12)26-17)5-10-6-14-15(24-9-23-14)7-13(10)20(21)22/h1-7H,9H2