4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,2,3-triazole

Systemtic Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,2,3-triazole Openeye Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-triazole CAS Name: 4-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-phenyltriazole IUPAC Name: 4-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyltriazole Traditional Name: 4-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-phenyl-triazole Formula: C15H18N6S MolecularWeight: 314.40862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N6S/c1-15(2,3)13-17-14(19-18-13)22-10-11-9-16-21(20-11)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,17,18,19)