N-[(4-nitrophenyl)carbamoyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-nitrophenyl)carbamoyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-nitrophenyl)carbamoyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(4-nitroanilino)-oxomethyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-nitrophenyl)carbamoyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[(4-nitrophenyl)carbamoyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21N7O4S MolecularWeight: 455.49024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O4S/c1-3-12-26-17(14-8-10-21-11-9-14)24-25-20(26)32-13(2)18(28)23-19(29)22-15-4-6-16(7-5-15)27(30)31/h4-11,13H,3,12H2,1-2H3,(H2,22,23,28,29)