2-[(4-butan-2-ylphenyl)methylsulfanyl]-5-pentylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[(4-butan-2-ylphenyl)methylsulfanyl]-5-pentylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-pentylsulfanyl-5-[(4-sec-butylphenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(4-butan-2-ylphenyl)methylthio]-5-(pentylthio)-1,3,4-thiadiazole IUPAC Name: 2-[(4-butan-2-ylphenyl)methylsulfanyl]-5-pentylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-(amylthio)-5-[(4-sec-butylbenzyl)thio]-1,3,4-thiadiazole Formula: C18H26N2S3 MolecularWeight: 366.60744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN=C(S1)SCC2=CC=C(C=C2)C(C)CC

Isomeric SMILES

CCCCCSC1=NN=C(S1)SCC2=CC=C(C=C2)C(C)CC

InChI

InChI=1S/C18H26N2S3/c1-4-6-7-12-21-17-19-20-18(23-17)22-13-15-8-10-16(11-9-15)14(3)5-2/h8-11,14H,4-7,12-13H2,1-3H3