2-azanyl-4-methylsulfanyl-3-nitro-6-phenyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-4-methylsulfanyl-3-nitro-6-phenyl-benzenecarbonitrile Openeye Name: 2-amino-4-methylsulfanyl-3-nitro-6-phenyl-benzonitrile CAS Name: 2-amino-4-(methylthio)-3-nitro-6-phenylbenzonitrile IUPAC Name: 2-amino-4-methylsulfanyl-3-nitro-6-phenylbenzonitrile Traditional Name: 2-amino-4-(methylthio)-3-nitro-6-phenyl-benzonitrile Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C(=C1)C2=CC=CC=C2)C#N)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C(=C(C(=C1)C2=CC=CC=C2)C#N)N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O2S/c1-20-12-7-10(9-5-3-2-4-6-9)11(8-15)13(16)14(12)17(18)19/h2-7H,16H2,1H3