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

Systemtic Name: 1-(4-methylphenyl)-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(p-tolyl)-3-[5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-methylphenyl)-3-[5-(3-pyridinylmethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(p-tolyl)-3-[5-(3-pyridylmethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C16H15N5OS2 MolecularWeight: 357.4532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CN=CC=C3

InChI

InChI=1S/C16H15N5OS2/c1-11-4-6-13(7-5-11)18-14(22)19-15-20-21-16(24-15)23-10-12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H2,18,19,20,22)