3-[[3-(methylamino)phenyl]methylsulfanyl]-5-[2-(5-methyl-2-octoxy-phenoxy)sulfinylhydrazinyl]-1,2,4-thiadiazole

Systemtic Name: 3-[[3-(methylamino)phenyl]methylsulfanyl]-5-[2-(5-methyl-2-octoxy-phenoxy)sulfinylhydrazinyl]-1,2,4-thiadiazole Openeye Name: 3-[[3-(methylamino)phenyl]methylsulfanyl]-5-[2-(5-methyl-2-octoxy-phenoxy)sulfinylhydrazino]-1,2,4-thiadiazole CAS Name: 3-[[3-(methylamino)phenyl]methylthio]-5-[(5-methyl-2-octoxyphenoxy)sulfinylhydrazo]-1,2,4-thiadiazole IUPAC Name: 3-[[3-(methylamino)phenyl]methylsulfanyl]-5-[2-(5-methyl-2-octoxyphenoxy)sulfinylhydrazinyl]-1,2,4-thiadiazole Traditional Name: 3-[[3-(methylamino)benzyl]thio]-5-[N'-(5-methyl-2-octoxy-phenoxy)sulfinylhydrazino]-1,2,4-thiadiazole Formula: C25H35N5O3S3 MolecularWeight: 549.7721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C)OS(=O)NNC2=NC(=NS2)SCC3=CC(=CC=C3)NC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C)OS(=O)NNC2=NC(=NS2)SCC3=CC(=CC=C3)NC

InChI

InChI=1S/C25H35N5O3S3/c1-4-5-6-7-8-9-15-32-22-14-13-19(2)16-23(22)33-36(31)30-28-24-27-25(29-35-24)34-18-20-11-10-12-21(17-20)26-3/h10-14,16-17,26,30H,4-9,15,18H2,1-3H3,(H,27,28,29)