5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(o-tolyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]-(o-tolyl)amine Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C(S2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C(S2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C18H16ClN3O2S2/c1-11-4-2-3-5-15(11)20-17-21-22-18(26-17)25-9-13-7-14(19)6-12-8-23-10-24-16(12)13/h2-7H,8-10H2,1H3,(H,20,21)