1-[(2-chlorophenyl)methyl]-1-(2-cyanoethyl)-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[(2-chlorophenyl)methyl]-1-(2-cyanoethyl)-3-pyridin-3-yl-thiourea Openeye Name: 1-[(2-chlorophenyl)methyl]-1-(2-cyanoethyl)-3-(3-pyridyl)thiourea CAS Name: 1-[(2-chlorophenyl)methyl]-1-(2-cyanoethyl)-3-(3-pyridinyl)thiourea IUPAC Name: 1-[(2-chlorophenyl)methyl]-1-(2-cyanoethyl)-3-pyridin-3-ylthiourea Traditional Name: 1-(2-chlorobenzyl)-1-(2-cyanoethyl)-3-(3-pyridyl)thiourea Formula: C16H15ClN4S MolecularWeight: 330.8351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CCC#N)C(=S)NC2=CN=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN(CCC#N)C(=S)NC2=CN=CC=C2)Cl

InChI

InChI=1S/C16H15ClN4S/c17-15-7-2-1-5-13(15)12-21(10-4-8-18)16(22)20-14-6-3-9-19-11-14/h1-3,5-7,9,11H,4,10,12H2,(H,20,22)