2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CO3

InChI

InChI=1S/C16H15N3O2S/c1-11-5-7-12(8-6-11)13(20)10-22-16-18-17-15(19(16)2)14-4-3-9-21-14/h3-9H,10H2,1-2H3