S-[4-[2-[3-[(2-oxidanylidene-1H-pyrimidin-6-yl)carbamoyl]phenyl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[3-[(2-oxidanylidene-1H-pyrimidin-6-yl)carbamoyl]phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[3-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[3-[oxo-[(2-oxo-1H-pyrimidin-6-yl)amino]methyl]phenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[3-[(2-oxo-1H-pyrimidin-6-yl)carbamoyl]phenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[3-[(2-keto-1H-pyrimidin-6-yl)carbamoyl]phenyl]ethynyl]phenyl] ester Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(=O)NC3=CC=NC(=O)N3

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(=O)NC3=CC=NC(=O)N3

InChI

InChI=1S/C21H15N3O3S/c1-14(25)28-18-9-7-15(8-10-18)5-6-16-3-2-4-17(13-16)20(26)23-19-11-12-22-21(27)24-19/h2-4,7-13H,1H3,(H2,22,23,24,26,27)