1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-methyl-urea

Systemtic Name: 1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-methyl-urea Openeye Name: 1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-methyl-urea CAS Name: 1-[4-[(2,6-dimethyl-4-nitrophenyl)thio]phenyl]-3-methylurea IUPAC Name: 1-[4-(2,6-dimethyl-4-nitrophenyl)sulfanylphenyl]-3-methylurea Traditional Name: 1-[4-[(2,6-dimethyl-4-nitro-phenyl)thio]phenyl]-3-methyl-urea Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=CC=C(C=C2)NC(=O)NC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1SC2=CC=C(C=C2)NC(=O)NC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c1-10-8-13(19(21)22)9-11(2)15(10)23-14-6-4-12(5-7-14)18-16(20)17-3/h4-9H,1-3H3,(H2,17,18,20)