1-[3-(3,3-dimethylbut-1-ynylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[3-(3,3-dimethylbut-1-ynylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-methylphenyl)urea Openeye Name: 1-[3-(3,3-dimethylbut-1-ynylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(p-tolyl)urea CAS Name: 1-[3-(3,3-dimethylbut-1-ynylthio)-1,2,4-thiadiazol-5-yl]-3-(4-methylphenyl)urea IUPAC Name: 1-[3-(3,3-dimethylbut-1-ynylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-methylphenyl)urea Traditional Name: 1-[3-(3,3-dimethylbut-1-ynylthio)-1,2,4-thiadiazol-5-yl]-3-(p-tolyl)urea Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=NC(=NS2)SC#CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=NC(=NS2)SC#CC(C)(C)C

InChI

InChI=1S/C16H18N4OS2/c1-11-5-7-12(8-6-11)17-13(21)18-14-19-15(20-23-14)22-10-9-16(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20,21)