2,4,6-triethyl-3-isothiocyanato-aniline

Systemtic Name: 2,4,6-triethyl-3-isothiocyanato-aniline Openeye Name: 2,4,6-triethyl-3-isothiocyanato-aniline CAS Name: 2,4,6-triethyl-3-isothiocyanatoaniline IUPAC Name: 2,4,6-triethyl-3-isothiocyanatoaniline Traditional Name: (2,4,6-triethyl-3-isothiocyanato-phenyl)amine Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1N=C=S)CC)N)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1N=C=S)CC)N)CC

InChI

InChI=1S/C13H18N2S/c1-4-9-7-10(5-2)13(15-8-16)11(6-3)12(9)14/h7H,4-6,14H2,1-3H3