azanylidyneazanium; 1,4-dibutoxy-2-(4-methylphenyl)sulfanyl-benzene

Systemtic Name: azanylidyneazanium; 1,4-dibutoxy-2-(4-methylphenyl)sulfanyl-benzene Openeye Name: 1,4-dibutoxy-2-(p-tolylsulfanyl)benzene; nitridoammonium CAS Name: 1,4-dibutoxy-2-[(4-methylphenyl)thio]benzene; nitriloammonium IUPAC Name: azanylidyneazanium; 1,4-dibutoxy-2-(4-methylphenyl)sulfanylbenzene Traditional Name: 1,4-dibutoxy-2-(p-tolylthio)benzene; nitriloammonium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)OCCCC)SC2=CC=C(C=C2)C.[NH+]#N

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)OCCCC)SC2=CC=C(C=C2)C.[NH+]#N

InChI

InChI=1S/C21H28O2S.N2/c1-4-6-14-22-18-10-13-20(23-15-7-5-2)21(16-18)24-19-11-8-17(3)9-12-19;1-2/h8-13,16H,4-7,14-15H2,1-3H3;/p+1