3-(4-bromophenyl)-1-(2-cyanoethyl)-1-methyl-thiourea

Systemtic Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 3-(4-bromophenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Formula: C11H12BrN3S MolecularWeight: 298.20208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=CC=C(C=C1)Br

Isomeric SMILES

CN(CCC#N)C(=S)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H12BrN3S/c1-15(8-2-7-13)11(16)14-10-5-3-9(12)4-6-10/h3-6H,2,8H2,1H3,(H,14,16)