azanylidyneazanium; 2,3-diethoxy-4-(4-methylphenyl)benzenethiol

Systemtic Name: azanylidyneazanium; 2,3-diethoxy-4-(4-methylphenyl)benzenethiol Openeye Name: 2,3-diethoxy-4-(p-tolyl)benzenethiol; nitridoammonium CAS Name: 2,3-diethoxy-4-(4-methylphenyl)benzenethiol; nitriloammonium IUPAC Name: azanylidyneazanium; 2,3-diethoxy-4-(4-methylphenyl)benzenethiol Traditional Name: 2,3-diethoxy-4-(p-tolyl)benzenethiol; nitriloammonium Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1OCC)S)C2=CC=C(C=C2)C.[NH+]#N

Isomeric SMILES

CCOC1=C(C=CC(=C1OCC)S)C2=CC=C(C=C2)C.[NH+]#N

InChI

InChI=1S/C17H20O2S.N2/c1-4-18-16-14(13-8-6-12(3)7-9-13)10-11-15(20)17(16)19-5-2;1-2/h6-11,20H,4-5H2,1-3H3;/p+1