1-[azanyl-(3,5-dimethylpyrazol-1-yl)methylidene]-3-hexyl-thiourea

Systemtic Name: 1-[azanyl-(3,5-dimethylpyrazol-1-yl)methylidene]-3-hexyl-thiourea Openeye Name: 1-[amino-(3,5-dimethylpyrazol-1-yl)methylene]-3-hexyl-thiourea CAS Name: 1-[amino-(3,5-dimethyl-1-pyrazolyl)methylidene]-3-hexylthiourea IUPAC Name: 1-[amino-(3,5-dimethylpyrazol-1-yl)methylidene]-3-hexylthiourea Traditional Name: 1-[amino-(3,5-dimethylpyrazol-1-yl)methylene]-3-hexyl-thiourea Formula: C13H23N5S MolecularWeight: 281.42022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N=C(N)N1C(=CC(=N1)C)C

Isomeric SMILES

CCCCCCNC(=S)N=C(N)N1C(=CC(=N1)C)C

InChI

InChI=1S/C13H23N5S/c1-4-5-6-7-8-15-13(19)16-12(14)18-11(3)9-10(2)17-18/h9H,4-8H2,1-3H3,(H3,14,15,16,19)