S-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl] ethanethioate

Systemtic Name: S-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl] ethanethioate Openeye Name: S-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl] ester IUPAC Name: S-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl] ester Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3

InChI

InChI=1S/C17H16N2OS/c1-12(20)21-14-8-6-13(7-9-14)17(15-4-2-10-18-15)16-5-3-11-19-16/h2-11,17-19H,1H3