4-(furan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(furan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-furylmethyl)-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-furanylmethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(furan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-furfuryl)-3-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-1,2,4-triazole-5-thione Formula: C15H15N3OS2 MolecularWeight: 317.4291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C3=NNC(=S)N3CC4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C3=NNC(=S)N3CC4=CC=CO4

InChI

InChI=1S/C15H15N3OS2/c20-15-17-16-14(18(15)8-10-4-3-7-19-10)12-9-21-13-6-2-1-5-11(12)13/h3-4,7,9H,1-2,5-6,8H2,(H,17,20)