1-(2-cyanoethyl)-3-(3-cyanophenyl)-1-methyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(3-cyanophenyl)-1-methyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-(3-cyanophenyl)-1-methyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-(3-cyanophenyl)-1-methylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-(3-cyanophenyl)-1-methylthiourea Traditional Name: 1-(2-cyanoethyl)-3-(3-cyanophenyl)-1-methyl-thiourea Formula: C12H12N4S MolecularWeight: 244.31548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4S/c1-16(7-3-6-13)12(17)15-11-5-2-4-10(8-11)9-14/h2,4-5,8H,3,7H2,1H3,(H,15,17)