3-nitro-4-(triphenylmethyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-(triphenylmethyl)sulfanyl-benzenecarbonitrile Openeye Name: 3-nitro-4-tritylsulfanyl-benzonitrile CAS Name: 3-nitro-4-[(triphenylmethyl)thio]benzonitrile IUPAC Name: 3-nitro-4-tritylsulfanylbenzonitrile Traditional Name: 3-nitro-4-(tritylthio)benzonitrile Formula: C26H18N2O2S MolecularWeight: 422.49832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C26H18N2O2S/c27-19-20-16-17-25(24(18-20)28(29)30)31-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H