N-(2-methyl-3-nitro-phenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-pyrrolidin-1-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[4-(2-oxolanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[[5-pyrrolidino-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3CCCO3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3CCCO3)N4CCCC4

InChI

InChI=1S/C20H26N6O4S/c1-14-16(7-4-8-17(14)26(28)29)21-18(27)13-31-20-23-22-19(24-9-2-3-10-24)25(20)12-15-6-5-11-30-15/h4,7-8,15H,2-3,5-6,9-13H2,1H3,(H,21,27)