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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=C(C=CS2)C

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=C(C=CS2)C

InChI

InChI=1S/C11H15N3S2/c1-3-4-6-14-10(12-13-11(14)15)9-8(2)5-7-16-9/h5,7H,3-4,6H2,1-2H3,(H,13,15)