1-methyl-5-nitro-1-(phenylmethyl)indol-1-ium-2-thiol

Systemtic Name: 1-methyl-5-nitro-1-(phenylmethyl)indol-1-ium-2-thiol Openeye Name: 1-benzyl-1-methyl-5-nitro-indol-1-ium-2-thiol CAS Name: 1-methyl-5-nitro-1-(phenylmethyl)-2-indol-1-iumthiol IUPAC Name: 1-benzyl-1-methyl-5-nitroindol-1-ium-2-thiol Traditional Name: 1-benzyl-1-methyl-5-nitro-indol-1-ium-2-thiol Formula: C16H15N2O2S+ MolecularWeight: 299.3675

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1S)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1S)CC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2S/c1-18(11-12-5-3-2-4-6-12)15-8-7-14(17(19)20)9-13(15)10-16(18)21/h2-10H,11H2,1H3/p+1