azanylidyneazanium; 5-decoxy-2-ethoxy-4-(4-methylphenyl)benzenethiol

Systemtic Name: azanylidyneazanium; 5-decoxy-2-ethoxy-4-(4-methylphenyl)benzenethiol Openeye Name: 5-decoxy-2-ethoxy-4-(p-tolyl)benzenethiol; nitridoammonium CAS Name: 5-decoxy-2-ethoxy-4-(4-methylphenyl)benzenethiol; nitriloammonium IUPAC Name: azanylidyneazanium; 5-decoxy-2-ethoxy-4-(4-methylphenyl)benzenethiol Traditional Name: 5-decoxy-2-ethoxy-4-(p-tolyl)benzenethiol; nitriloammonium Formula: C25H37N2O2S+ MolecularWeight: 429.63848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1C2=CC=C(C=C2)C)OCC)S.[NH+]#N

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1C2=CC=C(C=C2)C)OCC)S.[NH+]#N

InChI

InChI=1S/C25H36O2S.N2/c1-4-6-7-8-9-10-11-12-17-27-23-19-25(28)24(26-5-2)18-22(23)21-15-13-20(3)14-16-21;1-2/h13-16,18-19,28H,4-12,17H2,1-3H3;/p+1