1-(4-tert-butylsulfanylphenyl)-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-(4-tert-butylsulfanylphenyl)-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-(4-tert-butylsulfanylphenyl)-3-(3-pyridylmethyl)urea CAS Name: 1-[4-(tert-butylthio)phenyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-(4-tert-butylsulfanylphenyl)-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[4-(tert-butylthio)phenyl]-3-(3-pyridylmethyl)urea Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2

InChI

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