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

Systemtic Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C17H18N4OS/c1-22-16-7-2-6-15(11-16)20-17(23)21(10-4-8-18)13-14-5-3-9-19-12-14/h2-3,5-7,9,11-12H,4,10,13H2,1H3,(H,20,23)