(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C19H13ClN4O2S2 MolecularWeight: 428.91512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCC4=C(SN=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)OCC4=C(SN=N4)Cl

InChI

InChI=1S/C19H13ClN4O2S2/c20-19-15(21-23-28-19)12-26-17(25)9-8-13-11-24(14-5-2-1-3-6-14)22-18(13)16-7-4-10-27-16/h1-11H,12H2/b9-8+