4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitro-benzonitrile CAS Name: 4-(1,3-benzoxazol-2-ylthio)-3-nitrobenzonitrile IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-nitrobenzonitrile Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-3-nitro-benzonitrile Formula: C14H7N3O3S MolecularWeight: 297.28868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H7N3O3S/c15-8-9-5-6-13(11(7-9)17(18)19)21-14-16-10-3-1-2-4-12(10)20-14/h1-7H