4-butyl-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(5-propyl-3-thienyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(5-propyl-3-thienyl)-1H-1,2,4-triazole-5-thione Formula: C13H19N3S2 MolecularWeight: 281.44006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CSC(=C2)CCC

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CSC(=C2)CCC

InChI

InChI=1S/C13H19N3S2/c1-3-5-7-16-12(14-15-13(16)17)10-8-11(6-4-2)18-9-10/h8-9H,3-7H2,1-2H3,(H,15,17)