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

Systemtic Name: S-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]methyl] ethanethioate Openeye Name: S-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]methyl] ester IUPAC Name: S-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[bis(1H-pyrrol-2-yl)methyl]benzyl] ester Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3

Isomeric SMILES

CC(=O)SCC1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3

InChI

InChI=1S/C18H18N2OS/c1-13(21)22-12-14-6-8-15(9-7-14)18(16-4-2-10-19-16)17-5-3-11-20-17/h2-11,18-20H,12H2,1H3