2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-nitrophenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-nitrophenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-nitrophenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2-nitrophenyl)acrylonitrile Formula: C16H9N3O2S2 MolecularWeight: 339.39156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9N3O2S2/c17-10-12(9-11-5-1-3-7-14(11)19(20)21)22-16-18-13-6-2-4-8-15(13)23-16/h1-9H