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

Systemtic Name: 4-[2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-methyl-benzamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)N4CCCC4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)N4CCCC4

InChI

InChI=1S/C21H24N6O3S/c1-22-19(29)15-6-8-16(9-7-15)23-18(28)14-31-21-25-24-20(26-10-2-3-11-26)27(21)13-17-5-4-12-30-17/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,29)(H,23,28)