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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S2/c1-13-6-7-14(10-16(13)25(27)28)21-18(26)12-31-20-23-22-19(17-5-3-9-30-17)24(20)11-15-4-2-8-29-15/h3,5-7,9-10,15H,2,4,8,11-12H2,1H3,(H,21,26)