1-(3,5-dimethylphenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea Openeye Name: 1-(3,5-dimethylphenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea CAS Name: 1-(3,5-dimethylphenyl)-3-[2-[(4-nitrophenyl)thio]phenyl]urea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea Traditional Name: 1-(3,5-dimethylphenyl)-3-[2-[(4-nitrophenyl)thio]phenyl]urea Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O3S/c1-14-11-15(2)13-16(12-14)22-21(25)23-19-5-3-4-6-20(19)28-18-9-7-17(8-10-18)24(26)27/h3-13H,1-2H3,(H2,22,23,25)