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

Systemtic Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]urea Openeye Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]urea CAS Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(4-methylphenyl)-2-thiophenyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]urea Traditional Name: 1-(2-bromophenyl)-3-[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]urea Formula: C20H16BrN3OS MolecularWeight: 426.32954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3OS/c1-12-7-9-14(10-8-12)18-13(2)26-19(15(18)11-22)24-20(25)23-17-6-4-3-5-16(17)21/h3-10H,1-2H3,(H2,23,24,25)