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

Systemtic Name: N-(2-ethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[[4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-ethylphenyl)-2-[[4-(2-furanylmethyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[[4-(2-furfuryl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

InChI

InChI=1S/C21H20N6O2S/c1-2-15-6-3-4-8-17(15)24-19(28)14-30-21-26-25-20(18-12-22-9-10-23-18)27(21)13-16-7-5-11-29-16/h3-12H,2,13-14H2,1H3,(H,24,28)