1-[4-(2-chloranyl-6-methyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-[4-(2-chloranyl-6-methyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[4-(2-chloro-6-methyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[4-[(2-chloro-6-methyl-4-nitrophenyl)thio]phenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[4-(2-chloro-6-methyl-4-nitrophenyl)sulfanylphenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[4-[(2-chloro-6-methyl-4-nitro-phenyl)thio]phenyl]-3-propyl-isocyanuric acid Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=C(C=C(C=C3C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=C(C=C(C=C3C)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O5S/c1-3-8-22-17(25)21-18(26)23(19(22)27)12-4-6-14(7-5-12)30-16-11(2)9-13(24(28)29)10-15(16)20/h4-7,9-10H,3,8H2,1-2H3,(H,21,25,26)