azepan-1-yl-[4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxyphenyl]methanone

Systemtic Name: azepan-1-yl-[4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxyphenyl]methanone Openeye Name: azepan-1-yl-[4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxyphenyl]methanone CAS Name: 1-azepanyl-[4-[[3-[(4-chlorophenyl)thio]-2-pyrazinyl]oxy]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxyphenyl]methanone Traditional Name: azepan-1-yl-[4-[3-[(4-chlorophenyl)thio]pyrazin-2-yl]oxyphenyl]methanone Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)OC3=NC=CN=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)OC3=NC=CN=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN3O2S/c24-18-7-11-20(12-8-18)30-22-21(25-13-14-26-22)29-19-9-5-17(6-10-19)23(28)27-15-3-1-2-4-16-27/h5-14H,1-4,15-16H2