1-(4-tert-butyl-2-sulfanyl-phenyl)-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-(4-tert-butyl-2-sulfanyl-phenyl)-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-(4-tert-butyl-2-sulfanyl-phenyl)-3-(3-pyridylmethyl)urea CAS Name: 1-(4-tert-butyl-2-mercaptophenyl)-3-(3-pyridinylmethyl)urea IUPAC Name: 1-(4-tert-butyl-2-sulfanylphenyl)-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-(4-tert-butyl-2-mercapto-phenyl)-3-(3-pyridylmethyl)urea Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)NC(=O)NCC2=CN=CC=C2)S

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)NC(=O)NCC2=CN=CC=C2)S

InChI

InChI=1S/C17H21N3OS/c1-17(2,3)13-6-7-14(15(22)9-13)20-16(21)19-11-12-5-4-8-18-10-12/h4-10,22H,11H2,1-3H3,(H2,19,20,21)