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

Systemtic Name: 5-azanyl-N-butyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-butyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-butyl-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-butyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-butyl-1,2,4-triazole-1-carbothioamide Formula: C7H13N5S MolecularWeight: 199.27662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13N5S/c1-2-3-4-9-7(13)12-6(8)10-5-11-12/h5H,2-4H2,1H3,(H,9,13)(H2,8,10,11)