2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylonitrile Formula: C23H14N4S3 MolecularWeight: 442.57906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C#N)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C#N)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H14N4S3/c24-14-18(29-23-25-19-9-4-5-10-20(19)30-23)13-16-15-27(17-7-2-1-3-8-17)26-22(16)21-11-6-12-28-21/h1-13,15H