phenyl 2-[(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: phenyl 2-[(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxidanylidene-3-phenyl-propanoate Openeye Name: phenyl 2-[(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-3-phenyl-propanoate CAS Name: 2-[[5-(hexylthio)-1,3,4-thiadiazol-2-yl]thio]-3-oxo-3-phenylpropanoic acid phenyl ester IUPAC Name: phenyl 2-[(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-3-phenylpropanoate Traditional Name: 2-[[5-(hexylthio)-1,3,4-thiadiazol-2-yl]thio]-3-keto-3-phenyl-propionic acid phenyl ester Formula: C23H24N2O3S3 MolecularWeight: 472.64326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)SC(C(=O)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=NN=C(S1)SC(C(=O)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S3/c1-2-3-4-11-16-29-22-24-25-23(31-22)30-20(19(26)17-12-7-5-8-13-17)21(27)28-18-14-9-6-10-15-18/h5-10,12-15,20H,2-4,11,16H2,1H3