N-(2-methoxy-4-nitro-phenyl)-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-3-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methoxy-4-nitrophenyl)-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-3-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C3=CC=NC=C3

InChI

InChI=1S/C20H22N6O4S/c1-3-11-25-19(14-6-9-21-10-7-14)23-24-20(25)31-12-8-18(27)22-16-5-4-15(26(28)29)13-17(16)30-2/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,22,27)