1-(5-methylfuran-2-yl)-2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(5-methylfuran-2-yl)-2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2-furyl)ethanone CAS Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(5-methyl-2-furanyl)ethanone IUPAC Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylfuran-2-yl)ethanone Traditional Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(5-methyl-2-furyl)ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-15-12-13-19(27-15)18(26)14-28-21-24-23-20(22-16-8-4-2-5-9-16)25(21)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,22,23)