5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-allyl-5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-allyl-5-[[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C26H25N3OS3 MolecularWeight: 491.6912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3OS3/c1-3-5-16-32-22-13-11-19(12-14-22)24-20(18-29(27-24)21-9-7-6-8-10-21)17-23-25(30)28(15-4-2)26(31)33-23/h4,6-14,17-18H,2-3,5,15-16H2,1H3