5-chloranyl-N-(4-nitrophenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-nitrophenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-nitrophenyl)-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-nitrophenyl)-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-nitrophenyl)-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-nitrophenyl)-2-(propylthio)pyrimidine-4-carboxamide Formula: C14H13ClN4O3S MolecularWeight: 352.79602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN4O3S/c1-2-7-23-14-16-8-11(15)12(18-14)13(20)17-9-3-5-10(6-4-9)19(21)22/h3-6,8H,2,7H2,1H3,(H,17,20)