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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[5-(3-pyridinylmethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3,4-dimethylphenyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5OS2/c1-11-5-6-14(8-12(11)2)19-15(23)20-16-21-22-17(25-16)24-10-13-4-3-7-18-9-13/h3-9H,10H2,1-2H3,(H2,19,20,21,23)