1-[3-(6-chloranyl-3,5-dinitro-pyridin-2-yl)sulfanyl-5-methyl-phenyl]-3-prop-2-ynyl-urea

Systemtic Name: 1-[3-(6-chloranyl-3,5-dinitro-pyridin-2-yl)sulfanyl-5-methyl-phenyl]-3-prop-2-ynyl-urea Openeye Name: 1-[3-[(6-chloro-3,5-dinitro-2-pyridyl)sulfanyl]-5-methyl-phenyl]-3-prop-2-ynyl-urea CAS Name: 1-[3-[(6-chloro-3,5-dinitro-2-pyridinyl)thio]-5-methylphenyl]-3-prop-2-ynylurea IUPAC Name: 1-[3-(6-chloro-3,5-dinitropyridin-2-yl)sulfanyl-5-methylphenyl]-3-prop-2-ynylurea Traditional Name: 1-[3-[(6-chloro-3,5-dinitro-2-pyridyl)thio]-5-methyl-phenyl]-3-propargyl-urea Formula: C16H12ClN5O5S MolecularWeight: 421.81498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=NC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)NC(=O)NCC#C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=NC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)NC(=O)NCC#C

InChI

InChI=1S/C16H12ClN5O5S/c1-3-4-18-16(23)19-10-5-9(2)6-11(7-10)28-15-13(22(26)27)8-12(21(24)25)14(17)20-15/h1,5-8H,4H2,2H3,(H2,18,19,23)