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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-3-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-3-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-3-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-3-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-3-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2CC3CCCO3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2CC3CCCO3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S2/c1-30-14-6-7-16(17(12-14)26(28)29)22-19(27)8-11-33-21-24-23-20(18-5-3-10-32-18)25(21)13-15-4-2-9-31-15/h3,5-7,10,12,15H,2,4,8-9,11,13H2,1H3,(H,22,27)