3-(4-chlorophenyl)-5-heptylsulfanyl-2H-1,3,4-thiadiazole

Systemtic Name: 3-(4-chlorophenyl)-5-heptylsulfanyl-2H-1,3,4-thiadiazole Openeye Name: 3-(4-chlorophenyl)-5-heptylsulfanyl-2H-1,3,4-thiadiazole CAS Name: 3-(4-chlorophenyl)-5-(heptylthio)-2H-1,3,4-thiadiazole IUPAC Name: 3-(4-chlorophenyl)-5-heptylsulfanyl-2H-1,3,4-thiadiazole Traditional Name: 3-(4-chlorophenyl)-5-(heptylthio)-2H-1,3,4-thiadiazole Formula: C15H21ClN2S2 MolecularWeight: 328.92364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN(CS1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCSC1=NN(CS1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H21ClN2S2/c1-2-3-4-5-6-11-19-15-17-18(12-20-15)14-9-7-13(16)8-10-14/h7-10H,2-6,11-12H2,1H3