1-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-(2-furanylmethyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-(2-furfuryl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C17H19N5O2S MolecularWeight: 357.43006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=NC=CN=C3

InChI

InChI=1S/C17H19N5O2S/c1-17(2,3)14(23)11-25-16-21-20-15(13-9-18-6-7-19-13)22(16)10-12-5-4-8-24-12/h4-9H,10-11H2,1-3H3