3-(4-bromanyl-3-methyl-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-(4-bromo-3-methyl-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-(4-bromo-3-methylphenyl)-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-(4-bromo-3-methylphenyl)-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 3-(4-bromo-3-methyl-phenyl)-1-(2-cyanoethyl)-1-methyl-thiourea Formula: C12H14BrN3S MolecularWeight: 312.22866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(C)CCC#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(C)CCC#N)Br

InChI

InChI=1S/C12H14BrN3S/c1-9-8-10(4-5-11(9)13)15-12(17)16(2)7-3-6-14/h4-5,8H,3,7H2,1-2H3,(H,15,17)