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

Systemtic Name: 4-butyl-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(5-methyl-3-thienyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(5-methyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(5-methyl-3-thienyl)-1H-1,2,4-triazole-5-thione Formula: C11H15N3S2 MolecularWeight: 253.3869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3S2/c1-3-4-5-14-10(12-13-11(14)15)9-6-8(2)16-7-9/h6-7H,3-5H2,1-2H3,(H,13,15)