1-(4-phenylsulfanylbutyl)-3-pyridin-4-yl-thiourea

Systemtic Name: 1-(4-phenylsulfanylbutyl)-3-pyridin-4-yl-thiourea Openeye Name: 1-(4-phenylsulfanylbutyl)-3-(4-pyridyl)thiourea CAS Name: 1-[4-(phenylthio)butyl]-3-pyridin-4-ylthiourea IUPAC Name: 1-(4-phenylsulfanylbutyl)-3-pyridin-4-ylthiourea Traditional Name: 1-[4-(phenylthio)butyl]-3-(4-pyridyl)thiourea Formula: C16H19N3S2 MolecularWeight: 317.47216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCNC(=S)NC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCCCNC(=S)NC2=CC=NC=C2

InChI

InChI=1S/C16H19N3S2/c20-16(19-14-8-11-17-12-9-14)18-10-4-5-13-21-15-6-2-1-3-7-15/h1-3,6-9,11-12H,4-5,10,13H2,(H2,17,18,19,20)