1-(2-cyanoethyl)-3-(2-phenylphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(2-phenylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(2-phenylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(2-phenylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(2-phenylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(2-phenylphenyl)-1-(3-pyridylmethyl)thiourea Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=S)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=S)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C22H20N4S/c23-13-7-15-26(17-18-8-6-14-24-16-18)22(27)25-21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-6,8-12,14,16H,7,15,17H2,(H,25,27)