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

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(3-pyridylmethyl)thiourea Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2)C

InChI

InChI=1S/C18H20N4S/c1-14-6-7-17(11-15(14)2)21-18(23)22(10-4-8-19)13-16-5-3-9-20-12-16/h3,5-7,9,11-12H,4,10,13H2,1-2H3,(H,21,23)