5-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1,3,4-thiadiazol-2-yl]-(3-methoxyphenyl)amine Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H14ClN3O3S2/c1-22-12-4-2-3-11(7-12)19-16-20-21-17(26-16)25-8-10-5-13(18)15-14(6-10)23-9-24-15/h2-7H,8-9H2,1H3,(H,19,20)