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

Systemtic Name: 5-[4-[2-(4-bromophenyl)sulfanylethanoyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[2-[(4-bromophenyl)thio]-1-oxoethyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[2-[(4-bromophenyl)thio]acetyl]piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C19H19BrN4O2S/c20-14-3-5-15(6-4-14)27-12-17(25)23-7-9-24(10-8-23)19-16(11-21)22-18(26-19)13-1-2-13/h3-6,13H,1-2,7-10,12H2