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

Systemtic Name: 5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-allyl-5-[[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-allyl-5-[[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S2/c1-4-15-29-26(31)24(34-27(29)33)17-21-18-30(22-8-6-5-7-9-22)28-25(21)20-10-12-23(13-11-20)32-16-14-19(2)3/h4-13,17-19H,1,14-16H2,2-3H3