5-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[2-[(8-chloro-1-naphthyl)thio]acetyl]piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)CSC4=CC=CC5=C4C(=CC=C5)Cl)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)CSC4=CC=CC5=C4C(=CC=C5)Cl)C#N

InChI

InChI=1S/C23H21ClN4O2S/c24-17-5-1-3-15-4-2-6-19(21(15)17)31-14-20(29)27-9-11-28(12-10-27)23-18(13-25)26-22(30-23)16-7-8-16/h1-6,16H,7-12,14H2