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

Systemtic Name: 4-butyl-3-(5-ethylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(5-ethyl-3-thienyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(5-ethyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(5-ethylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(5-ethyl-3-thienyl)-1H-1,2,4-triazole-5-thione Formula: C12H17N3S2 MolecularWeight: 267.41348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3S2/c1-3-5-6-15-11(13-14-12(15)16)9-7-10(4-2)17-8-9/h7-8H,3-6H2,1-2H3,(H,14,16)