5-azanyl-N-hexyl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-N-hexyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-hexyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-hexyl-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-hexyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-hexyl-1,2,4-triazole-1-carbothioamide Formula: C9H17N5S MolecularWeight: 227.32978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N1C(=NC=N1)N

Isomeric SMILES

CCCCCCNC(=S)N1C(=NC=N1)N

InChI

InChI=1S/C9H17N5S/c1-2-3-4-5-6-11-9(15)14-8(10)12-7-13-14/h7H,2-6H2,1H3,(H,11,15)(H2,10,12,13)