4-[2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(2-furanylmethyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-(2-furfuryl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C20H17N7O3S MolecularWeight: 435.45908

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=NC=CN=C4

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=NC=CN=C4

InChI

InChI=1S/C20H17N7O3S/c21-18(29)13-3-5-14(6-4-13)24-17(28)12-31-20-26-25-19(16-10-22-7-8-23-16)27(20)11-15-2-1-9-30-15/h1-10H,11-12H2,(H2,21,29)(H,24,28)