3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-(2-furylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-(2-furfuryl)-1H-1,2,4-triazole-5-thione Formula: C17H19N3OS MolecularWeight: 313.41726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CO3

InChI

InChI=1S/C17H19N3OS/c1-17(2,3)13-8-6-12(7-9-13)15-18-19-16(22)20(15)11-14-5-4-10-21-14/h4-10H,11H2,1-3H3,(H,19,22)