1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-methyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-methyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-methyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-methylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methyl]-1-methylthiourea Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dichlorobenzyl)-1-methyl-thiourea Formula: C12H13Cl2N3S MolecularWeight: 302.22272

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NCC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CN(CCC#N)C(=S)NCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H13Cl2N3S/c1-17(6-2-5-15)12(18)16-8-9-3-4-10(13)11(14)7-9/h3-4,7H,2,6,8H2,1H3,(H,16,18)