5-nitro-2-[2-(phenylmethylsulfanyl)ethylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[2-(phenylmethylsulfanyl)ethylamino]benzenecarbonitrile Openeye Name: 2-(2-benzylsulfanylethylamino)-5-nitro-benzonitrile CAS Name: 5-nitro-2-[2-(phenylmethylthio)ethylamino]benzonitrile IUPAC Name: 2-(2-benzylsulfanylethylamino)-5-nitrobenzonitrile Traditional Name: 2-[2-(benzylthio)ethylamino]-5-nitro-benzonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H15N3O2S/c17-11-14-10-15(19(20)21)6-7-16(14)18-8-9-22-12-13-4-2-1-3-5-13/h1-7,10,18H,8-9,12H2