1-phenethyl-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-phenethyl-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-phenethyl-3-[5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-phenethyl-3-[5-(3-pyridinylmethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-phenethyl-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-phenethyl-3-[5-(3-pyridylmethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C17H17N5OS2 MolecularWeight: 371.47978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC2=NN=C(S2)SCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC2=NN=C(S2)SCC3=CN=CC=C3

InChI

InChI=1S/C17H17N5OS2/c23-15(19-10-8-13-5-2-1-3-6-13)20-16-21-22-17(25-16)24-12-14-7-4-9-18-11-14/h1-7,9,11H,8,10,12H2,(H2,19,20,21,23)