2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C21H20N6O3S MolecularWeight: 436.4869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

InChI

InChI=1S/C21H20N6O3S/c1-14-5-6-18(29-2)16(10-14)24-19(28)13-31-21-26-25-20(17-11-22-7-8-23-17)27(21)12-15-4-3-9-30-15/h3-11H,12-13H2,1-2H3,(H,24,28)