1-(azepan-1-yl)-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[3-(phenylthio)-2-pyrazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[3-(phenylthio)pyrazin-2-yl]thio]ethanone Formula: C18H21N3OS2 MolecularWeight: 359.50884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS2/c22-16(21-12-6-1-2-7-13-21)14-23-17-18(20-11-10-19-17)24-15-8-4-3-5-9-15/h3-5,8-11H,1-2,6-7,12-14H2