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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

InChI

InChI=1S/C21H23N5O4S2/c1-13-16(7-3-8-17(13)26(28)29)22-20(27)14(2)32-21-24-23-19(18-9-5-11-31-18)25(21)12-15-6-4-10-30-15/h3,5,7-9,11,14-15H,4,6,10,12H2,1-2H3,(H,22,27)