4-(furan-2-ylmethyl)-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(furan-2-ylmethyl)-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-furylmethyl)-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-furanylmethyl)-3-[4-(1-pyrrolyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(furan-2-ylmethyl)-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-furfuryl)-3-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H14N4OS MolecularWeight: 322.38426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CO4

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C3=NNC(=S)N3CC4=CC=CO4

InChI

InChI=1S/C17H14N4OS/c23-17-19-18-16(21(17)12-15-4-3-11-22-15)13-5-7-14(8-6-13)20-9-1-2-10-20/h1-11H,12H2,(H,19,23)