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

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]urea Openeye Name: 1-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3,5-dimethylphenyl)urea CAS Name: 1-(3,5-dimethylphenyl)-3-[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]urea IUPAC Name: 1-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3,5-dimethylphenyl)urea Traditional Name: 1-[3-(benzylthio)-1,2,4-thiadiazol-5-yl]-3-(3,5-dimethylphenyl)urea Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC2=NC(=NS2)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC2=NC(=NS2)SCC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N4OS2/c1-12-8-13(2)10-15(9-12)19-16(23)20-17-21-18(22-25-17)24-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,19,20,21,22,23)