1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-(2,4,5-trimethylphenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-(2,4,5-trimethylphenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-(3-pyridylmethyl)-3-(2,4,5-trimethylphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-(3-pyridinylmethyl)-3-(2,4,5-trimethylphenyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-(2,4,5-trimethylphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(3-pyridylmethyl)-3-(2,4,5-trimethylphenyl)thiourea Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N(CCC#N)CC2=CN=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N(CCC#N)CC2=CN=CC=C2)C

InChI

InChI=1S/C19H22N4S/c1-14-10-16(3)18(11-15(14)2)22-19(24)23(9-5-7-20)13-17-6-4-8-21-12-17/h4,6,8,10-12H,5,9,13H2,1-3H3,(H,22,24)