1-(2-bromophenyl)-3-[3-cyano-4-(3,4-dimethylphenyl)-5-methyl-thiophen-2-yl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[3-cyano-4-(3,4-dimethylphenyl)-5-methyl-thiophen-2-yl]urea Openeye Name: 1-(2-bromophenyl)-3-[3-cyano-4-(3,4-dimethylphenyl)-5-methyl-2-thienyl]urea CAS Name: 1-(2-bromophenyl)-3-[3-cyano-4-(3,4-dimethylphenyl)-5-methyl-2-thiophenyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[3-cyano-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]urea Traditional Name: 1-(2-bromophenyl)-3-[3-cyano-4-(3,4-dimethylphenyl)-5-methyl-2-thienyl]urea Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC(=C2C#N)NC(=O)NC3=CC=CC=C3Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC(=C2C#N)NC(=O)NC3=CC=CC=C3Br)C)C

InChI

InChI=1S/C21H18BrN3OS/c1-12-8-9-15(10-13(12)2)19-14(3)27-20(16(19)11-23)25-21(26)24-18-7-5-4-6-17(18)22/h4-10H,1-3H3,(H2,24,25,26)