azanylidyneazanium; 2,5-diethoxybenzenethiol; methylbenzene

Systemtic Name: azanylidyneazanium; 2,5-diethoxybenzenethiol; methylbenzene Openeye Name: 2,5-diethoxybenzenethiol; nitridoammonium; toluene CAS Name: 2,5-diethoxybenzenethiol; nitriloammonium; toluene IUPAC Name: azanylidyneazanium; 2,5-diethoxybenzenethiol; toluene Traditional Name: 2,5-diethoxybenzenethiol; nitriloammonium; toluene Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)S.CC1=CC=CC=C1.[NH+]#N

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)S.CC1=CC=CC=C1.[NH+]#N

InChI

InChI=1S/C10H14O2S.C7H8.N2/c1-3-11-8-5-6-9(12-4-2)10(13)7-8;1-7-5-3-2-4-6-7;1-2/h5-7,13H,3-4H2,1-2H3;2-6H,1H3;/p+1