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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H19ClN6O3S MolecularWeight: 446.91056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=NC=C3

InChI

InChI=1S/C19H19ClN6O3S/c1-3-10-25-17(13-6-8-21-9-7-13)23-24-19(25)30-12(2)18(27)22-16-5-4-14(26(28)29)11-15(16)20/h4-9,11-12H,3,10H2,1-2H3,(H,22,27)