2-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methyl-amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-methylamino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]-methyl-amino]-N-(2-furfuryl)benzamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)CSC3=NN=C(N3N)C4CC4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)CSC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C20H22N6O3S/c1-25(17(27)12-30-20-24-23-18(26(20)21)13-8-9-13)16-7-3-2-6-15(16)19(28)22-11-14-5-4-10-29-14/h2-7,10,13H,8-9,11-12,21H2,1H3,(H,22,28)