N-hexyl-5-isothiocyanato-pyridin-2-amine

Systemtic Name: N-hexyl-5-isothiocyanato-pyridin-2-amine Openeye Name: N-hexyl-5-isothiocyanato-pyridin-2-amine CAS Name: N-hexyl-5-isothiocyanato-2-pyridinamine IUPAC Name: N-hexyl-5-isothiocyanatopyridin-2-amine Traditional Name: hexyl-(5-isothiocyanato-2-pyridyl)amine Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC=C(C=C1)N=C=S

Isomeric SMILES

CCCCCCNC1=NC=C(C=C1)N=C=S

InChI

InChI=1S/C12H17N3S/c1-2-3-4-5-8-13-12-7-6-11(9-14-12)15-10-16/h6-7,9H,2-5,8H2,1H3,(H,13,14)