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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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